MULTIVARIATE CURVE RESOLUTION WEB PAGE

Multivariate Curve Resolution

 

Publications

available upon request at Roma.Tauler@idaea.csic.es

November 2018, WOS, Results: 411, Total cited: 13.830, h index: 56

Google Academic 19.531 cites, h index 68, hidex 47 since 2013

 

PAPERS (per year and peer reviewed)

Contact me for a copy of pdf files

1. Mixed Ligand Complex Formation in the System Copper(II)-Salicylate Ion-Ethilenediamine

E.Casassas and R.Tauler

Journal Chimie Physique, 1984, 81, 233-41

 

2. Mixed Ligand Complex Formation in the Copper(II)-Salicylate Ion-Picolinate Ion System

E.Casassas and R.Tauler

Journal Chimie Physique, 1984, 81, 558-67

 

3. Mixed Ligand Complex Formation in the Copper(II)-Salicylate-Ammonia and in the Copper(II)-Salicylate-Pyridine Systems

E.Casassas and R.Tauler

Journal Chimie Physique, 1985, 82, 1067-77

 

4. The Complex Formation of Cu(II) with Triethanolamine in Aqueous Solution.

R.Tauler, E.Casassas, M.J.A.Rainer and B.M.Rode

Inorganica Chimica Acta, 1985, 105, 165-70

 

5. The Interaction of H+, Zn(II) and Cu(II) with Adenine and 9-Methyladenine.

R.Tauler, M.J.A.Rainer and B.M.Rode

Inorganica Chimica Acta, 1986, 123, 75-82

 

6. The Complex Formation of Cu(II) with Mono- and Diethanolamine in Aqueous Solution.

R.Tauler, E.Casassas and B.M.Rode.

Inorganica Chimica Acta, 1986, 114, 203-209

 

7. Potentiometric Study of Mixed Ligand Complex Formation in the Copper(II)-Salicylate-Mono-, Di- and Triethanolamine Systems; E.Casassas and R.Tauler.

Journal Chimie Physique, 1986, 83, 409-17

 

8. A Critical Comparison of Computer Programs for the Potentiometric Determination of Stability Constants.

E.Casassas, R.Tauler and M.Filella.

Analytica Chimica Acta, 1986, 191, 399-411

 

9. Assesment of the Results Obtained from Different Computer Programs Applied to Potentiometric Complexation Data.

E.Casassas, M.Filella and R.Tauler.

Analytica Chimica Acta, 1986, 191, 413-423

 

10. Potentiometric Study of the Co(II), Ni(II), Zn(II), and Cd(II) Complexes with 3-Hydroxy-2-Naphtalene Carboxylic Acid.

E.Casassas, G.Fonrodona and R.Tauler.

Polyhedron, 1987, 6, 1517-21

 

11. Principal Component Analysis Applied to the Study of Successive Complex Formation Data in the Cu(II) ethanolamine Systems.

R.Tauler and E.Casassas.

Journal of Chemometrics, 1988, 3, 151-61  

 

12. A Simplex Search for Conditions Giving Maximal and/or Minimal Concentrations of Species in Distribution Plots.

R.Tauler and E.Casassas.

Analytica Chimica Acta, 1988, 206, 189-202

 

13. Mixed Ligand Complex Formation of Copper(II) and Zinc(II) Ions with 3-Hydroxynaphtoate and Picolinate ions as ligands in Dioxane-Water Mixtures.

E.Casassas, R.Tauler and G.Fonrodona

Polyhedron, 1988, 7, 1335-40.

 

14. Correlation of the Concentration of Both Zinc and Copper with the Exocrine Pancreatic Secretion in Humans.

M.T.Ribera and R.Tauler.

Digestion, 1988, 40, 110.

 

15. Spectrophotometric Study of Complex Formation in Copper(II)-Mono-, Di- and Triethanolamine Systems.

E.Casassas, LL.Gustems and R.Tauler.

Journal Chemical Society Dalton Transactions, 1989, 569-573.

 

16. Application of Principal Component Analysis to the Study of Multiequilibria Systems: Study of Cu(II)-Salicylate-mono-, di- and triethanolamine Systems.

R.Tauler and E.Casassas.

Analytica Chimica Acta, 1989, 223, 257-268.

 

17. Estudio Comparativo de las Propiedades ácido-base y complejantes de algunos ácidos orto-hidroxicardoxílicos aromáticos: ácido salicílico, ácido 3-hidroxi-2-naftoico y ácido pamoico.

E.Casassas, G.Fonrodona, A.Izquierdo-Ridorsa y R.Tauler.

Anales de Química, serie B, 1990, 86, 257.

 

18. Reactions of Cu(II) with glycine and glycylglycine in aqueous solution at high concentrations of sodium chloride.

R.Tauler and B.M.Rode.

Inorganica Chimica Acta, 1990, 173, 93-98.

 

19. Acid-Base and Complex-Forming Properties of Uracil and Uridine in Aqueous Solution.

E.Casassas, A-Izquierdo-Ridorsa and R.Tauler.

Journal of Inorganic Biochemistry, 1990, 39, 327-336.

 

20. Potentiometric and 1H NMR study of the interaction of hypoxanthine and inosine with H+, Cu2+ and Zn2+ ions.

R.Tauler, J.F.Cid and E.Casassas.

Journal of Bioniorganic Chemistry, 1990, 39, 277-285.

 

21. Electron Paramagnetic Resonance and Visible Spectroscopy Studies of Mixed Ligand Complexes of Copper(II) Ion, Salicylate and Ammonia, Mono-, Di-, or Triethanolamine in Aqueous Solution.

E.Casassas, A.Izquierdo-Ridorsa and R.Tauler.

Journal of Chemical Society.  Dalton Transactions, 1990, 2341-2345.

 

22. Comparación de Metodos de Calibración Multivariante aplicados al estudio espectrofotométrico de mezclas de bases purínicas y pirimidínicas.

R.Tauler, A.Izquierdo y E.Casassas.

Anales de Química, 1991, 87, 571.

 

23. Assesment of Solvent Parameters and Their Correlation with Protonation Constants in Dioxane-Water Mixtures Using Factor Analysis; E.Casassas, G.Fonrodona, A.de Juan and R.Tauler.

Chemometrics and Intelligent Laboratory Systems, 1991, 29-38.

 

24. Self-Modeling Curve resolution applied to Spectroscopic Titration Data using Factor Analysis.

R.Tauler, E.Casassas and A.Izquierdo-Ridorsa.

Analytica Chimica Acta, 1991, 447-458.

 

25. Deconvolution and Quantitation of complex unresolved mixtures of pesticides in liquid chromatography-diode array detection using evolving factor analysis.

R.Tauler, G.Durand and D.Barceló.

Chromatographia, 1992, 33, 244-254.

 

26. Spectroscopic resolution of macromolecular complexes using factor analysis: Cu(II)-polyethileneimine system.

R.Tauler and E.Casassas.

Chemometrics and Intelligent Laboratory Systems, 1992, 14, 305-317.

 

27. Application of factor analysis to speciation in multiequilibria systems.

R.Tauler and E.Casassas.

Analusis, 1992, 20, 255-268.

 

28. Simultaneous analysis of several spectroscopic titrations with self-modeling curve resolution.

R.Tauler, A.Izquierdo-Ridorsa and E.Casassas.

Chemometrics and Intelligent Laboratory Systems, 1993, 18, 293-300.

 

29. Application of an evolving factor analysis-based procedure to speciation in the Copper(II)-polyuridilic acid system.

E.Casassas, R.Gargallo, I.Gimenez, A.Izquierdo-Ridorsa and R.Tauler.

Analytica Chimica Acta, 1993, 283, 538-547.

 

30. Multivariate Curve resolution applied to Spectral Data from Multiple Runs of an Industrial Process.

R.Tauler, B.R.Kowalski and S.Fleming.

Analytical Chemistry, 1993, 65, 2040-2047.

 

31. Multivariate Curve Resolution and calibration applied to liquid chromatography diode array detection.

R.Tauler and D.Barceló.

Trends in Analytical Chemistry, 1993, 12, 319-327.

 

32. Interactions of H+ and Cu(II) ions with polyadenylic acid: study by factor analysis.

E.Casassas, R.Tauler and M.I.Marques.

Macromolecules, 1994, 27, 1729-37. 

 

33. Study of the acid-base behaviour and copper(II) complexing properties of uracil and hypoxanthin- derived nucleotides in aqueous solution.

E.Casassas, R.Gargallo, I.Giménez, A.Izquierdo-Ridorsa and R.Tauler

Journal of Inorganic Biochemistry, 1994, 56, 187-199.

 

34. Multicomponent determination of chlorinated hydrocarbons using a reaction-based chemical sensor. II Chemical speciation using multivariate curve resolution.

R.Tauler, A.K.Smilde, J.M.Henshaw, L.W.Burgess, B.R.Kowalski.

Analytical Chemistry, 1994, 66, 3337-3344.

 

35. Multicomponent determination of chlorinated hydrocarbons using a reaction-based chemical sensor. III Medium-rank second-order calibration with restricted Tucker models.

A.K.Smilde, R.Tauler, J.M.Henshaw, L.W.Burgess, B.R.Kowalski.

Analytical Chemistry, 1994, 66, 3345-3351

 

36. Selectivity, local rank, three-way data analysis and ambiguity in multivariate curve resolution.

R.Tauler, A.Smilde and B.R.Kowalski.

Journal of Chemometrics, 1995, 9, 31-58

 

37. Application of a new multivariate curve resolution procedure to the simultaneous analysis of several spectroscopic titrations of the copper(II)-polyinosinic acid.

R. Tauler, A. Izquierdo-Ridorsa, R. Gargallo and E. Casassas

Chemometrics and Intelligent Laboratory Systems, 1995, 27, 163-174.

 

38. Salt induced peptide formation. On the selectivity of the copper induced peptide formation under possible prebiotic conditions. M.G.Scwendinger, R.Tauler, S.Saetia, K.R.Liedl, R.T.Kroemer and B.M.Rode.

Inorganica Chimica Acta. 1995, 228, 207-14

 

39. Determination of traces of herbicide mixtures in water by on-line solid-phase extraction followed by liquid chromatography with diode-array detection and multivariate self-modelling curve resolution.  

S. Lacorte, D.Barcelo and R.Tauler.

Journal of Chromatography, 1995, A 697, 345-55.

 

40. Application of Multivariate Curve resolution to Voltammetric Data. Part 1. Study of Zn(II) complexation with some polyelectrolytes.

J.M.Diaz, R.Tauler, B.S.Grabaric, M.Esteban and  E.Casassas.

Journal of Electroanalytical Chemistry, 1995, 393, 7-16.

 

41. Study of acid-base properties of fulvic acids using fluorescence spectrometry and multivariate curve resolution methods.

E.Casassas, I.Marqués and R.Tauler.

Analytica Chimica Acta, 1995, 310, 473-484.

 

42. Simultaneous determination of plutonium alpha emitters by liquid scintillation counting using multivariate calibration.

M.Toribio, J.F.Garcia, A.Izquierdo-Ridorsa, R.Tauler and G.Rauret.

Analytica Chimica Acta, 1995, 310, 297-305.

 

43. Continuous Flow Titration System for the generation of multivariate spectrophotometric data in the study of acid-base equilibria.

J.Saurina, S.Hernàndez-Casou and R.Tauler.

Analytica Chimica Acta, 1995, 312, 189-198.

 

44. Multivariate curve resolution applied to continuous flow spectrophotometric titrations. Reaction between amino-acids and 1,2-naphtoquinone-4-sulfonic acid.

J.Saurina, S.Hernandez-Cassou and R.Tauler.

Analytical Chemistry. 1995, 67, 3722-26.

 

45. Multivariate curve resolution applied to second order data.

R.Tauler.

Chemometrics and Intelligent Laboratory Systems, 1995, 30, 133-146.

 

46. Application of a a multivariate curve resolution procedure for the study o the acid-base and copper(II) complexation equilibria of polycititylic acid.

E.Casassas, R.Gargallo, A.Izquierdo-Ridorsa and R.Tauler.

Reactive Polymers, 1995, 27, 1-14.

 

47. A comparative study of polyelectrolytic effects and conformational changes in several purinic and pyrimidinic homopolyribonucleotides.

A.Izquierdo-Ridorsa, E.Casassas, R.Gargallo, I.Marqués and R.Tauler.

Reactive Polymers, 1996, 28, 127-37

 

48. Application of multivariate self-modeling curve resolution to the quantitation of trace levels of organophosphorous pesticides in natural waters from interlaboratory studies.

R.Tauler, S.Lacorte and D.Barcelo,

Journal of Chromatography A, 1996, 730, 177-183 

 

49. Validation of alternating least squares multivariate curve resolution for  chromatographic resolution and quantitation.

R.Gargallo, F.Cuesta-Sànchez, D.L. Massart and R.Tauler.

Trends in Analytical Chemistry, 1996, 15, 279-286

 

50. Application of a self-modelling curve resolution approach to the study of solvent effects on the acid-base and copper(II)-complexing behaviour of polyuridylic acid.

A. de Juan, G.Fonrodona, R.Gargallo, A.Izquierdo-Ridorsa, R.Tauler and E.Casassas

Journal of Inorganic Biochemistry, 1996, 63, 155-173

 

51 Application of Multivariate Curve resolution to Voltammetric Data. II. Study of Metal-Binding Properties of the Peptides

J.Mendieta, M.S.Diaz-Cruz, R.Tauler and M.Esteban

Analytical Biochemistry, 1996, 240, 134-141.

 

52. Influence of selectivity and polyelectrolite effects on the performance of soft modellling and hard-modelling approaches applied to the study of acid-base equilibria of polyelectrolites by spectrometric titrations.

R.Gargallo, R.Tauler and A.Izquierdo-Ridorsa.

Analytica Chimica Acta, 1996, 331, 195-205.

 

53. Second order multivariate curve resolution applied to the flow injection analysis of mixtures of aminoacids.

J.Saurina, S.Hernandez-Casou and R.Tauler.

Analytica Chim. Acta, 1996, 335, 41-49 

 

54. Cadmium binding properties of gluthathione: a chemometrical analysis of votammetric data.

M.S.Díaz-Cruz, J.Mendieta, R.Tauler and M.Esteban

Journal of Inorganic Biochemistry, 1997, 66, 29-36

 

55. Application of a multivariate curve resolution procedure to the analysis of second order melting data of synthetic and natural polynucleotides.

R.Gargallo, R.Tauler and A.Izquierdo-Ridorsa.

Analytical Chemistry, 1997, 68, 1785-1792

 

56. Application of multivariate curve resolution to the voltammetric data. Factor analysis ambiguities in the study of weak consecutive complexation of metal ion with ligand

B.S.Grabaric, Z.Grabaric, R.Tauler, M.Esteban and E.Casassas

Analytica Chimica Acta, 1997, 341, 105-120

 

57. Multivariate Curve resolution and Trilinear Decomposition Methods in the Analysis of Stopped-Flow Kinetic Data for Binary Amino Acid Mixtures

J.Saurina, S.Hernández Cassou, R.Tauler

Analytical Chemistry, 1997, 69, 2329-2336

 

58. Three-way curve resolution applied to the study of the solvent effect on the thermodynamic and conformational transitions related to the protonation of polycytidylic acid

A.de Juan, A.Izquierdo-Ridorsa, R.Gargallo, R.Tauler, G.Fonrodona and E.Casassas

Analytical Biochemistry, 1997, 249, 174-183

 

59 Assesment of new constraints applied to the alternating least squares method.

A.de Juan, Y.Vander Heyden, R.Tauler and D.L.Massart

Analytica Chimica Acta,, 1997, 346, 307-318

 

60 Acid-base and copper(II) complexation equilibria of poly(inosinic)-poly(cytidylic) acid.

R.Gargallo, R.Tauler and A.Izquierdo-Ridorsa

Biopolymers, 1997, 42, 271-283,

 

61. Degradation study of benomyl and carbendazim in water by liquid chromatography and multivariate curve resolution methods.

E.Mallat, D.Barceló and R.Tauler

Chromatographia, 1997;46, 342-350

 

62. Input Characterization of Sedimentary Organic Chemical Markers in the Northwestern Mediterranean Sea by Exploratory Data Analysis

J.Salou, R.Tauler, J.Bayona and I.Tolosa;

Environmental Science and Technology, 1997, 31, 3482-3490

 

63 Second order multivariate curve Resolution applied to rank deficient data obtained from acid-base spectrophotometric titrations of mixtures of nucleic bases.

A. Izquierdo-Ridorsa, J. Saurina, S. Hernández-Cassou and R. Tauler

Chemometrics and Laboratory Systems, 1997, 38, 183-196.

 

64. A soft modelling approach to interpret thermodynamic and conformational transitions of polynucleotides

A.de Juan, A.Izquierdo-Ridorsa, R.Tauler, G.Fonrodona and E.Casassas

Biophysical Journal., 1997, 73, 2937-2948

 

65. Modelling near infrared instrument differences by chemometric methods: Testing for near infrared forage analysis

A.Puigdomenench, R.Tauler, E.Casassas and M.Aragay

Analytica Chimica Acta, 1997, 355, 181-193

 

66. Multivariate curve resolution applied to three-way trilinear data: Study of a spectrofluorimetric acid-base titration of salicylic acid at three excitation wavelengths.

R.Tauler, I.Marqués and E.Casassas.

Journal of Chemometrics, 1998; 12, 55-75

 

67. Resolution and quantitative determination of coeluted pesticide mixtures in liquid chromatography thermospray mass spectrometry by multivariate curve resolution.

J.M.Salou, M.Honing, R.Tauler and D.Barceló

Journal of Chromatography A, 1998, 795, 3-12

 

68. Multivariate resolution of rank-deficient kinetic spectrophotometric data from first-order kinetic kinetic decomposition reactions

J.Saurina, S.Hernández-Cassou, R.Tauler and. A.Izquierdo-Ridorsa

Journal of Chemometrics, 1998, 12, 183-203

 

69. Study of the acid-base equilibria and conformational changes of double stranded polyadenylic-polyurydilyc acid in aquesous solution

A.Kudrev, R.Gargallo, A. Izquierdo-Ridorsa, R.Tauler and E.Casassas

Analytica Chimica Acta, 1998, 363, 119-132

 

70. Comparison between the direct trilinear decomposition and the multivariate curve resolution alternating least squares methods for the resolution of three-way data sets.

A.de Juan, S.C.Rutan, R.Tauler and D.L.Massart

Chemometrics and Intelligent Laboratory Systems, 1998, 40, 19-32

 

71. Multivariate Curve Resolution: A possible Tool in the Detection of Intermediate Structures in Protein Folding.

J.Mendieta, M.S.Diaz-Cruz, M.Esteban and R.Tauler.

Biophysical Journal, 1998, 74, 2876-2888

 

72. Study of the zinc-binding properties of glutathione by differential pulse polarography and multivariate curve resolution

M.S.Diaz-Cruz, J.Mendieta, A.Monjonell, R.Tauler and M.Esteban

Journal Inorganic Biochemistry, 1998, 40, 91-98

 

73. Multivariate curve resolution analysis of voltammetric data obtained at different time windows: study of the system Cd2+ -Nitrilotriacetic acid

M.Torres, J.Mdíaz-Cruz, C.Ariño, B.S.Grabaric, R.Tauler and M.Esteban

Analytica Chimica Acta, 1998, 371, 23-37

 

74 Chemical speciation in biomacromolecular systems

A.Izquierdo-Ridorsa, R.Gargallo and R.Tauler

Recent Research Developments in Pure and Applied Analytical Chemistry , 1998, 1, 249-262

 

75 Procedure for the quantitative determination of mixtures of nucleic acid components based on multivariate spectrophotometric acid-base titrations.

J.Saurina, S.Hernández-Casou, R.Tauler and A.Izquierdo-Ridorsa

Analytical Chemistry, 1999, 71, 126-34

 

76. Two-phase induction of the non-native a-helical form of the b-lactoglobulin in the presence of trifluoroethanol

J.Mendieta, H.Folque and R.Tauler.

Biophysical Journal,  1999, 76, 451-57

 

77.  Process Chemometrics

R.Tauler and K.S.Booksh

Chemometrics and Intelligent laboratory Systems, editor of special issue (Editor Invitado) 1999, 46, 101

 

78. Resolution of temperature dependent conformational multiequilibria processes.

R.Tauler, R.Gargallo, M.Vives  and A.Izquierdo-Ridorsa

Chemometrics and Intelligent Laboratory Systems, 1999, 46, 275-295.

 

79. Study of interaction of the polyadenylic-polyuridylic acid with 2,2'-bipyridine-copper(II) chelates in aqueous solution

A.Kudrev and R.Tauler

Russian Journal Inorganic Chemistry 1999, 44, 60-67.

 

80. Zinc-binding properties of the C-terminal hexapeptide Lys-Cys-Thr-Cys-Cys-Ala from mouse metallothionein: analysis by differential pulse polarography and multivariate curve resolution.

M.S.Diaz-Cruz, J.Mendieta, A.Monjonell, R.Tauler and M.Esteban

Analytica Chimica Acta, 1999, 385, 335-363

 

81. Quantitative resolution of pH and temperature dependent equilibria in natural polynucleotides

R.Gargallo, R.Tauler and A.Izquierdo-Ridorsa

Química Analítica, 1999, 18, 73-81

 

82. Continuous-flow and flow-injection pH gradients for spectrophotometric determinations of mixtures of nucleic acid components.

J.Saurina, S.Hernandez-Cassou, R.Tauler and A.Izquierdo-Ridorsa

Analytical  Chemistry, 1999, 71, 2215-2220

 

83. Study of the intercalation equilibrium between the polynucleotide poly(adenylic)-poly(uridylic) acid and the ethidium bromide dye by means of Multivariat Curve Resolution and the multivariate extension of the continuous variation and mole ratio methods.

M. Vives, R. Gargallo, R. Tauler

Analytical Chemistry,  1999, 71, 4328- 4337

 

84. Complexation of cadmium by the C-terminal hexapeptide Lys-Cys-Thr-Cys-Cys-Ala from mouse metallothionein: Study by differential pulse polarography and circular dichroism spectroscopy with multivariate curve resolution analysis.

J.Mendieta, M.S.Diaz-Cruz, A.Monjonell, R.Tauler and M.Esteban

Analytica Chimica Acta, 1999,  390, 15-25

 

85. Multivariate curve resolution of cyclic voltammetric data: Application to the study of Cadmium binding properties of glutathione.

M. S. Díaz-Cruz,  J. Mendieta,  R. Tauler  and  M. Esteban

Analytical Chemistry, 1999, 71, 4629-4636

 

86. Calibration methods for complex second order data.

A.Smilde, A. Smilde, R.Tauler, X.Saurina and R.Bro.

Analytica Chimica Acta,  1999, 398, 237-251

 

87. Multivariate Curve resolution with alternating least squares optimization: a soft modelling approach to metal complexation studies by voltammetric techniques.

M.Esteban,  C.Ariño, J.M.Diaz Cruz,  M.S.Diaz-Cruz and R.Tauler

Trends in Analytical Chemistry, 2000,  19, 49-61.

 

88. Fast spectrophotometric determination of pKa values based on a gradient flow injection system

J.Saurina, S.Hernàndez-Cassou, R.Tauler and A.Izquierdo-Ridorsa

Analytica Chimica Acta,  2000, 408, 135-143

 

89. Determination of triphenyl in seea-water by excitation-emission matrix fluorescence and multivariate curve resolution.

J.Saurina, C.Leal, R.Compañó, M.Granados, R.Tauler and M.D.Prat

Analytica Chimica Acta, 2000, 409, 237-245

 

90. pH gradient spectrophotometric data files from flow-injection and continuous-flow systems for two- and three-way data analysis

J.Saurina, S.Hernandez-Cassou, A.Izquierdo-Ridorsa and R.Tauler

Chemometrics and Intelligent Laboratory Systems, 2000, 50, 263-271

 

91. Soft- and hard-modeling approaches for the determination of stability constants of metal-peptide systems by voltammetry,

M.S.Diaz-Cruz, J.M.Diaz-Cruz, J.Mendieta, R.Tauler and M.Esteban

Analytical Biochemistry, 2000, 279, 189-201

 

92. Multivariate extension of the continuous variations and mole-ratio methods for the study of the interaction of intercalators with polynucleotides

M.Vives, R.Gargallo and R.Tauler 

Analytica Chimica Acta, 2000, 424, 105-114

 

93. Multivariate correlations between concentration of selected herbicides and derivatives in outflows from selected US midwestern reservoirs

R.Tauler, D.Barcelo and E.M.Thurman

Environmental Science and Technology, 2000, 34, 3307-3314

 

94 Strategies for solving matrix effects in the analysis of triphenyltin in sea-water samples by three-way multivariate curve resolution

J.Saurina and R.Tauler

The Analyst, 2000, 125, 2038-43

 

95 Multivariate curve resolution of polarographic data applied to the study of the copper-binding ability of tannic acid

B.H.Cruz, J.M.Díaz-Cruz, C.Ariño, R.Tauler and M.Esteban

Analytica Chimica Acta, 2000, 424, 203-209

 

96 Combining hard- and soft-modelling to solve kinetic problems

A.de Juan, M.Maeder, M.Martínez and R.Tauler

Chemometrics and Intelligent Laboratory Systems, 2000, 54, 123-141

 

97. Estimation of figures of merit using univariate statistics for quantitative second-order multivariate curve resolution.
J.Saurina, C.Leal, R.Compaño, M.Granados, M.D.Prat and R.Tauler

Analytica Chimica Acta, 2001, 432, 245-255

 

98. Analytical characterization of the conformational transitions of polynucleotides by means of different molecular spectroacopies and multivariate curve resolution

M.Vives, R.Gargallo and R.Tauler

Analytical Biochemistry, 2001, 291, 1-10.

 

99. Implementation of a chemical equilibrium constraint in the multivariate curve resolution of voltammograms from systems with successive metal complexes

J.M.Díaz-Cruz, J.Agulló, M.Silvia-Díaz-Cruz, C.Ariño, M.Esteban and R.Tauler

The Analyst, 2001, 126, 371-377

 

100. Study of the interaction of cis-dichloro-(1,2-diethyl-3-aminopyrrolidine)Pt(II) complex with poly(I), poly(C) and poly(I)-poly(C)

M.Vives, R.Gargallo, R.Tauler and V.Moreno

Journal Inorganic Biological Chemistry, 2001, 85(4), 279-290

 

101. A novel resolution approach combining soft and hard-modelling features to investigate temperature-dependent kinetic processes

A. de Juan, M.Maeder, M.Martínez and R.Tauler

Analytica Chimica Acta, 2001, 442, 337-350

 

102. Soft modelling approach applied to voltammetric data: study of electrochemically labile metal-glycine complexes

M.Frenández, C.Ariño, J.M.Diaz-Cruz, R.Tauler and M.Esteban

Journal of Electroanalytical Chemistry, 2001, 505, 44-53

 

103 Calculation of maximum and minimum band boundaries of feasible solutions for species profiles obtained by multivariate curve resolution.

R.Tauler

Journal of Chemometrics, 2001, 15, 627-646

 

104. Main findings and conclusions of the implementation of Directive 76/464/CEE concerning the monitoring of organic pollutants in surface waters (Portugal, April 1999-May 2000)

S.Lacorte, P.Viana, M.Guillamon, R.Tauler, T.Vinhas and D.Barceló

J.of Environmental Monitoring, 2001, 3, 475-482

 

105 Organic Pollutants in Surface Waters from Portugal using Chemometric Interpretation

R. Tauler, D. de Almeida Azevedo, S. Lacorte, R.Céspedes, P. Viana and D. Barceló

Environmental Technology, 2001, 22, 1043-1053

 

106. Protonation studies and multivariate curve resolution on oligodesoxynucleotides carrying the mutagenic base 2-aminopurine

R.Gargallo, M.Vives, R.Tauler and R. Eritja

Biophysical Journal, 2001, 81, 2886-2896

 

107. Study of the interaction of a cis-dichloroaminopyrrolidine Pt(II) complex and the polynucleotide poly(I)-poly(C) acid by means of 1H NMR and multivariate curve resolution

M.Vives, R.Tauler, V.Moreno and R.Gargallo

Analytical Chimica Acta, 2001, 446, 439-450

 

108. Three-way data analysis applied to multispectroscopic monitoring of protein folding

S.Navea, A.deJuan and R.Tauler

Analytica Chimica Acta, 2001, 446, 187-197

 

109 Three-way multivariate curve resolution applied to speciation of acid-base and thermal unfolding transitions of an alternating polynucleotide

M.Vives, R.Gargallo and R.Tauler

Biopolymers, 2001, 59, 477-488.

 

110. Voltammetric soft-modeling approach for systems with both electrochemically labile and inert complexes: the Zn(II)-glycine system

M.Fernández, C.Ariño, J.M.Diaz-Cruz, R.Tauler and M.Esteban

Electroanalysis,  2001, 15, 1405-1410

 

111. Differential Pulse Polarographic Study of the Pb(II) Complexation by Gluthathione. B.H.Cruz, J.M.Díaz-Cruz, M.S. Diaz-Cruz, C.Ariño, E.Esteban and R.Tauler

J.of Electroanalytical Chermistry, 2001, 516, 110-118.

 

112. Comparison of three-way resolution methods for non-trilinear data sets

A. de Juan  and R.Tauler

Journal of Chemometrics, 2001, 15, 749-771

 

113. Multivariate exploratory data analysis of the organic micropollutants found in the Llobregat river (Catalonia, Spain)

E.Teixido, L.Olivella, M.Figueras, A.Ginebreda and R.Tauler

Journal of Environmental Analytical Chemistry , 2001, 81, 295-313

 

114. Quantitation of mixtures of diprotic organic acids by FTIR flow titrations and multivariate curve resolution

J.Diewok, A. de Juan, R.Tauler and B.Lendl

Applied Spectroscopy, 2002, 56,  40-50

 

115. Multivariate Data Analysis –In Practice. An Introduction to multivariate data analysis and experimental design (4th edition). Book review:

R.Tauler

J. of Chemometrics 2002,.16, 117-118

 

116. Study of the influence of metal ions on tRNAP thermal unfolding equilibria by UV spectroscopy and multivariate curve resolution

M. Vives, R. Tauler, R. Gargallo*

J. of Inorg. Biochemistry, 2002, 89, 115-122

 

117. Study of Cd2+ Complexation by the Gluthathione Fragments Cys-Gly (CG) and  y-Glu-Cus-(y-EC) by differential pulse polarography.

B.H.Cruz, J.M.Diaz, C.Ariño, M.Estebam and R.Tauler

The Analyst, 2002, 127, 401-406

 

118, Application of multivariate curve resolution to the voltammetric study of the complexation of fulvic acids with cadmium(II) ion.

M.C.Antunes, J.E.Simao, A.C.Duarte, M.Esteban and R.Tauler

Analytica Chimica Acta, 2002, 459, 291-304

 

119. Preliminary results of an interlaboratory study of chemometric software and methods on NIR data. Predicting the content of crude protein and water in forages.

I. Ruisánchez*1, F.X. Rius1, S. Maspoch2, J. Coello2, T. Azzouz3, R. Tauler3, L. Sarabia4, M.C. Ortiz4, J.A. Fernández5, D. Massart5, A. Puigdomènech6 and C. García7

Chemometrics and Intelligent Laboratory Systems, 2002, 63, 93-105

 

120. Multivariate Curve resolution of overlapping voltammetric peaks. Quantitative determinations of binary and quaternary metal mixtures.

M.C.Antunes, J.E.J.Simao, A,C.Duarte and R.Tauler

The Analyst, 2002, 127, 809-817

 

121 Multivariate curve resolution: a powerful tool for the analysis of conformational transitions in nucleic acids.

J. Jaumot, R.Gargallo, N. Escaja, C.Gonzalez, E. Pedroso and R. Tauler

Nucleic Acid Research, 2002, 30, 17, e-92, 1-10

 

122. Detection and resolution of intermediate species in protein folding processes using fluorescence and circular dichroism spectroscopies and multivariate curve resolution

S.Navea, A. de Juan and R.Tauler

Analytical Chemistry, 2002, 74, 6031-9

 

123. Multivariate resolution of coeluted peaks in hyphenated liquid chromatography-linear sweep voltammetry

F.Berbel, E.Kapoya, J.M.Diaz-Cruz, C.Ariño, M.Esteban and R.Tauler

Electroanalysis, 2003, 15, 499-508

 

124. Application of a novel combination of hard- and soft-modeling for equilibrium systems to the quantitative analysis of pH modulated mixture samples

J. Diewok; A. de Juan; M. Marcel; R. Tauler; B. Lendl.

Analytical Chemistry,  2003,  76, 641-7

 

125 Multivariate resolution of NMR labile signals by means of hard- and soft-modeling methods

J. Jaumot, M. Vives, R. Gargallo and R. Tauler

Analytica Chimica Acta, 2003, 490, 253-264

 

126. Comparison between different data pre-treatment methods in the analysis of forage samples using NIR diffuse reflectance spectroscopy and multivariate calibration methods.

T.Azzouz1, A.Puigdoménech2 and  R.Tauler1

Analytica Chimica Acta, 2003, 484, 121-134.

 

127. Chemometrics applied to unravel multicomponent processes and mixtures. Revisiting latest trends in multivariate resolution

A.de Juan and R.Tauler

Analytica Chimica Acta, 2003, 500,195-210.

 

128. Resolution of parallel and antiparallel oligonucleotide triple helices formation and melting processes by means of Multivariate Curve Resolution

J.Jaumot, R.Gargallo, R.Eritja and R.Tauler

Journal of Biomolecular Structure  & Dynamics, 2003, 21, 267-277

 

129. Modelling temperature-dependent protein structural transitions by combined NIR and MIR spectroscopies and multivariate curve resolution.

S.Navea, A. de Juan and R.Tauler

Analytical Chemistry, 2003, 75, 5592-5601

 

130. Voltammetry assisted by multivariate analysis as a tool for complexation studies of protein domains: competitive complexation of a and b-metallothionein domains by cadmium and zinc

M.J.López, C.Ariño, S.Diaz-Cruz, J.M.Díaz-Cruz, R.Tauler and M.Esteban

Environmental Science and Technology, 2003, 37, 5609-5616

 

131. Indications towards a stereoselectivity of thea salt-induced peptide formation reaction

K.Plankensteiner, A. Righi, B.M.Rode, R.Gargallo, J.Jaumot and R.Tauler

Inorganica Chimica Acta, 2004, 357, 649-656

 

132. Local rank exploratory analysis of evolving rank deficient systems

A.de Juan, S.Navea, J.Diework and R.Tauler

Chemometrics and Intelligent laboratory systems, 2004, 70, 11-21

 

133. Identification of main microcontaminant sources of non-ionic susfactants , their degradation products and linear alkylbenzene sulfonates in coastal waters and sediments in Spain by means of principal component analysis and multivariate resolution

E. Peré-Trepat, M.Petrovic, D.Barceló and R.Tauler

Analytical and Bio analytical Chemistry, 2004, 378, 642-654

 

134. Sinthesis and protonation studies of a dodecamer containing the modified nucleoside 2'-desoxyzebularine

M.Vives, R.Eritja, R.Tauler and R.Gargallo

Biopolymers, 2004, 73, 27-43

 

135. Resolution of main environmental contamination sources of semivolatile organic compounds in surface waters of Portugal using chemometric compounds.

R.Tauler, S.Lacorte, M.Guillamón, R.Cespedes, P.Viana and D.Barceló

Environmental Toxicology and Chemistry, 2004, 23, 565-575

 

136. Spectroscopic imaging and chemometrics: a powerful combination for pharmaceutical product control

Anna de Juan, Roma` Tauler, Raylene Dyson, Claudia Marcolli,Marianne Rault, Marcel Maeder

Trends in Analytical Chemistry, 2004, 23, 70-79

 

137. Multivariate Curve Resolution applied to the analysis and resolution of two-dimensional [1H,15N]-NMR-reaction spectra

J.Jaumot, V.Marchán, R.Gargallo, A.Grandas and R.Tauler

Analytical Chemistry, 2004, 76, 7094-7101

 

 

138. Fast determination of complex biocide mixtures by short column LC-DAD and Multivariate Curve Resolution

E. Peré-Trepat, A.Hildebrandt, D.Barceló, S.Lacorte and R.Tauler

Chemometrics and Intelligent Laboratory Systems, 2004, 74, 293-303

 

139. Estimation of error propagation and prediction intervals in MCR-ALS using resampling methods

J.Jaumot, R.Gargallo and R.Tauler

J. of Chemometrics, 2004, 18, 327–340

 

140. Toxicity assays applied to waste water treatment

M. D. Hernando, A. R. Fernández-Alba, R. Tauler and D. Barcelói

Talanta, 2005, 65, 358-366

 

141. An user friendly interface for MCR-ALS : a new tool for Multivariate Curve Resolution in MATLAB

Joaquim Jaumot, Raimundo Gargallo, Anna de Juan and Roma Tauler

Chemometrics and Intelligent Laboratory Systems, 2005, 76(1) 101-110

 

142. Calculation of band boundaries of feasible solutions obtained by Multivariate Curve Resolution-Alternating Least Squares of multiple runs of a reaction monitored by NIR spectroscopy

M. Garrido, M. S. Larrechi*,  F. X. Rius and R. Tauler

Chemometrics and Intelligent Laboratory Systems, 2005, 76, 111-120

 

143. Aplication of the local regression method interval Partial Least Squares for the elucidation of protein secondary structure

Susana Navea, Romà Tauler and Anna de Juan

Analytical Biochemistry, 2005, 336(2), 231-242

 

144. Local rank analysis for exploratory spectroscopic image analysis. Fixed Sizw Image Window-Evolving Factor Analysis.

A. de Juan, M.Maeder, Th. Hancewicz and R.Tauler

Chemometrics and Intelligent Laboratory Systems, 2005, 77, 64-74

 

145. Application of multivariate curve resolution to the temperature-induced unfolding of alpha-chymotrypsin.

Anna  Borges; Romà Tauler; A. Borges,

Analytica Chimica Acta, 2005, 544 159–166

 

146. Solving liquid chromatography mass spectrometry coelution problems in the analysis of environmental samples by means of multivariate curve resolution

Emma Peré-Trepat, Silvia Lacorte and Romà Tauler

J. of Chromatography, 2005, 1096, 111-122

 

147. Resolution of a structural competition involving dimeric G-quadruplex and its C-rich complementary strand

Joaquim Jaumot, Ramon Eritja, Romà Tauler and Raimundo Gargallo

Nucleic Acid Research, 2006, 34, 206–216

 

148. Chemometrics tools for classification and elucidation of protein secondary structure from infrared and circular dichroism spectroscopic measurements

Susana Navea, Roma´ Tauler, Erik Goormaghtigh and Anna de Juan1

Protein: Structure, Function and Bioinformatics, 2006, 63, 527–541

 

149. Comparison of PARAFAC2 and MCR-ALS for resolution of a liquid dilution system

Ch,B.Zachariassen, J.Larsen, F.and den Berg, R.Bro, A.de Juan and R.Tauler

Chemometrics and Intelligent Laboratory Systems, 2006, 83, 13-25

 

150. Chemometrical investigation of contamination sources (presence and distribution) of organochlorine and polyaromatic compounds in the Ebro River Basin

Alícia Navarro, Romà Tauler, Sílvia Lacorte and Damià Barceló

Analytical and Bio analytical Chemistry, 2006, 385, 1020-30

 

 

151 Multivariate curve resolution of multidimensional excitation-emission quenching  matrices of a Laurentian soil fulvic acid.

Joaquim C.G. Esteves da Silva, Maria J.C.G. Tavares and Romá Tauler

Chemosphere, 2006, 64,1939-1948

 

152, Monitoring and modelling of protein processes using Mass Spectrometry,

Circular Dichroism and multivariate curve resolution methods

Susana Navea, Romà Tauler and Anna de Juan.

Analytical Chemistry. 2006, 78, 4768-4778

 

153 Identification and distribution of contamination sources in the Ebro river basin by chemometrics modelling coupled to geographical information systems

Marta Terrado, Damià Barceló, Romà Tauler

Talanta, 2006, 70, 691-704

154 Exploratory data analysis of DNA microarrays by Multivariate Curve Resolution

Joaquim Jaumot, Romà Tauler and Raimundo Gargallo

Analytical Biochemistry, 2006, 358, 76–89

 

155. Geographical and temporal disrtribution of tropospheric ozone in Catalonia (Nort-east Spain) during the period 2000-2004

M.Felipe-Sotelo, Ll.Gustems, I.Hernàndez, M.Terrado and R.Tauler

Atmospheric Environment, 2006, 40, 7421–7436

 

156. Analysis of environmental samples by application of multivariate curve resolution on fused high-performance liquid chromatography–diode array detection mass spectrometry data

E.Peré-Trepat and R.Tauler

J.of Chromatography, 2006, 1131, 85-96

 

157.  Chemometrics modelling of organic contaminats in fish and sediment river samples

E.Peré-Trepat, L.Olivella, A. Ginebreda, Josep Caixach, Romà Tauler.

Science of the Total Environment, 2006, 371,223-237.

 

158. Multi-way analysis for investigation of industrial pectin using an analytical liquid dilution system

Christian B. Zachariassen, Jan Larsen, Frans van den Berg, Rasmus Bro, Anna de Juan, Romà Tauler.

Chemometrics and Intelligent laboratory System, 2006, 84, 9-20

 

159. Multivariate Curve Resolution of Synchronous Fluorescence Spectra Matrices of Fulvic Acids Obtained as Function of the pH

Joaquim C.G. Esteves da Silva(1)*, Sandra L.R.R.S. Bastos(1) and Romá Tauler(2)

Applied Spectroscopy, 2006, 60, 1315-1321

 

160 Multivariate Curve Resolution (MCR) from 2000: progress in concepts and applications.

Anna de Juan and Romà Tauler

Critical Reviews in Analytical Chemistry,  2006, 36, 163–176

 

161. Quality assessment of the results obtained by Multivariate Curve Resolution of multiple runs of gasoline blending processes.

Joaquim Jaumot, José C. Menezes and Romà Tauler

J.Chemometrics, 2006, 20, 54-67

 

162. On Rotational Ambiguity in Model-Free Analyses of Multivariate Data

Maryam Vosough, Caroline Mason, Romà Tauler, Mehdi Jalali-Heravi, Marcel Maeder

J.of Chemometrics, 2006, 20, 302–310

 

163. Temporal characterisation of river waters in urban and semi-urban areas using
physico-chemical parameters and chemometric methods
M. Felipe-Sotelo, J.M. Andrade, A. Carlosena and R. Tauler
Analytica Chimica Acta, 2007, 583, 128–137

 

164. Spectroscopic study of the interaction of actinomycin D with oligonucleotides car6ying the central base sequences -XGCY- and -XGGCCY-using multivariate methods

Montse Vives; Ramón Eritja; Romà Tauler, Raimundo Gargallo

Analytical and Bioanalytical Chemistry, 2007, 387, 311–320

 

165 Determinarion of polyphenolic acids in strawberry samples by a fast liquid chromatography and multivariate curve resolution methods

Sílvia Mas, Gemma Fonrodona, Jose Barbosa, Romà Tauler.

Talanta, 2007, 71, 1455–1463

 

166. Investigation of main contamination sources of heavy metal ions in fish, sediments and waters from Catalonia rivers using different multiway data analysis methods.

Emma Peré-Trepat and Romà Tauler

Chemometrics and Intelligent Laboratory Systems, 2007, 88,  69-83

 

167. Evaluation of pesticides pollution in the irrigation and drainage channels of the Ebro river delta during the growing season of rice using chemometric and geostatistical methods

Marta Terrado, Marina Kuster, Demetrio Raldúa, Miren Lopez de Alda, Damià Barceló and Romà Tauler

Analytical and Bioanalytical Chemistry, 2007 387:1479–1488

 

168. Application of non-linear optimization methods to the estimation of multivariate curve resolution solutions and of their feasible band boundaries in the investigation of chemical and environmental data sets

R. Tauler

Analytica Chimica Acta, 2007, 595,.289-298

 

169. Alternative calibration approaches for lc-ms quantitative determination of coeluted compounds in complex environmental mixtures using multivariate curve resolution

Emma Peré-Trepat, Silvia Lacorte and Romà Tauler

Analytica Chimica Acta, 2007,  595, 228-237

 

170. Comprehensive Liquid Chromatography-Ionspray Tandem Mass Spectrometry method for the identification and quantification of eight hydroxylated brominated diphenyl ethers

Sílvia Mas, Olga Jáuregui, Fernando Rubio, Anna de Juan, Romà Tauler and Sílvia Lacorte

Journal Mass Sprectrometry, 2007, 42, 890-899

 

171 Chemometric modeling and prediction of trihalomethane formation in Barcelona's water works plant

Stefan Platikanov, Xavier Puig, Jordi Martín, Romà Tauler

Water Research, 2007,  41, 3394 – 3406

 

172 Use of local rank-based spatial information for resolution of spectroscopic images.

Anna de Juan, Marcel Maeder, Thomas Hancewicz and Romà Tauler

J.of Chemometrics, 2008, 22, 291-298

 

 

173. Factor Analysis of chromatographic data: exploration, resolution and quantification of multicomponent systems

Anna de Juan and Romà Tauler

J. of Chromatography, 2007, 1158, 184-195 

 

174. Solution equilibria of the i-motif forming region upstream of the B-cell lymphoma-2 P1 Promoter

Nasiruddin Khan, Anna Aviñó, Romà Tauler, Carlos González, Ramon Eritja,

Raimundo Gargallo

Biochimie, 2007, 89, 1562-1572

 

175. Application of Multivariate curve resolution Alternating Least Squares (MCR-ALS) to the qunatitative analysis of pharmaceutical and agricultural samples

Tarik Azzouz and Romà Tauler

Talanta, 2008, 74, 1201-1210

 

176. Foreword, Chimiométrie 2006, the 9th annual congress of Chemometrics

R.Tauler and J.Gouppy, editors of the special issue

Chemometrics and Intelligent Laboratory Systems, 2008, 91,1

 

177. Use of local rank-based spatial information for resolution of spectroscopic images.

Anna de Juan, Marcel Maeder, Thomas Hancewicz and Romà Tauler

J.of Chemometrics, 2008, 22, 291-298

 

178. Multivariate curve resolution of pH gradient ow injection mixture analysis

with correction of the Schlieren effect

Renato L. Carneiro, Jez Willian B. Braga, Ronei J. Poppi and Rom`a Tauler

Analyst, 2008, 133, 774–783

 

179. Photodegradation study of decabromodiphenyl ether by UV spectrophotometry and a hybrid hard- and soft-modelling approach

Silvia Mas, Anna de Juan, Silvia Lacorte, Roma Tauler

Analytica Chimica Acta 2008 1 8 18–28

 

180. A novel approach to the quantification of industrial mixtures from the Vinyl Acetate

Monomer (VAM) process using Near Infrared spectroscopic data and a Quantitative Self Modeling Curve Resolution (SMCR) Methodology.

Selena Richards, Edo Becker, Romá Tauler, Anthony Walmsley

Chemometrics and Intelligent Laboratory Systems, 2008, 94, 9-18

 

181. Combined use of  in situ bioassays, biomarkers and biological indices to diagnose and identifyied  environmental pressures on invertebrate communities in two Mediterranean urbanized and industrualized rivers (NE Spain)

Joana Damasio, Romà Tauler, Elisabeth Teixidó, Rieradevall, M, Narcis Prat, Mari Carmen Riva, AMVM Soares, Carlos Barata,

Aquatic Toxicology, 2008, 87, 310-320

 

182. Study of the distribution of organochlorine compounds in european mountain lake fish and their dependence on physiological and environmental parameters by PCA and PLS.

M. Felipe-Sotelo, R. Tauler, J. O. Grimalt,

Science of the Total Environment, 2008, 404 148-161

 

183. Impact of pesticides used in agriculture and vineyards to surface and groundwater quality (North Spain)

Alain Hildebrandt, Míriam Guillamón, Sílvia Lacorte, Romà Tauler and Damià Barceló.

Water Research, 2008, 42, 3315-3326

 

184. In vitro metabolism of decabromo diphenyl ether using rat microsomes

S. Mas, D. Raldua, S. Lacorte, A. de Juan and R. Tauler

Organohalogen Compounds, 2008, 70, 2188-2191

 

185. Standard addition analysis of fluoroquinolones in human serum in  the presence of the interferent salicylate using lanthanide-sensitized excitation-time decay luminescence data and multivariate curve resolution

Valeria A. Lozano, Romà Tauler, Gabriela A. Ibañez  and Alejandro C. Olivieri , Talanta, 2009, 77, 1715–1723

 

186. Chemometrics description of measurement error structure: study of an ultrafast absorption spectroscopy experiment

Lionel Blanchet, Julien Réhault, Cyril Ruckebusch, Jean Pierre Huvenne, Romà Tauler, Anna de Juan

Analytica Chimica Acta (CAC issue), 2009, 642 19–26

 

187. Variation patterns of nitric oxide in Catalonia during the period from 2001 to 2006 using multivariate data anlysis methods

M. Alier, M. Felipe-Sotelo, I. Hernàndez, R. Tauler

Analytica Chimica Acta (CAC issue), 2009, 648, 77-88

 

188. Distribution and assessment of surface water contamination by application of chemometric and deterministic models

Marta Terrado *, Martin-Pierre Lavigne, Sebastien Tremblay,  Sophie Duchesne, Jean-Pierre Villeneuve, Alain N. Rousseau, Damià Barceló and Romà Tauler

Journal of Hidrology, 2009, 369, 416–426

 

189. Calculation and meaning of feasible band boundaries in  Multivariate Curve Resolution

Hamid Abdollahi, Marcel Maeder and Romà Tauler

Analytical Chemistry, 2009, 81, 2115–2122

 

190.  Low-Resolution Structures of Transient Protein-Protein Complexes using Small-Angle X-Ray Scattering

Jascha Blobel, Pau Bernadó, Dmitri I. Svergun, Romà Tauler and Miquel Pons

Journal of American Chemical Society, 2009, 131 (12), 4378-4386

 

191. Quality assessment of the Multivariate Curve Resolution Alternating Least Squares (MCR-ALS) method for the investigation of environmental pollution patterns in surface water

Marta Terrado, Damià Barceló, Romà Tauler

Environmental Science and Technology 2009, 43, 5321–5326

 

192. Comparison of the results obtained by four receptor modelling methods in aerosol source apportionment studies

R.Tauler, M.Viana, X. Querol, A. Alastuey, R.M. Flight,  P.D. Wentzell, P.K.Hopke

Atmospheric Environment, 2009, 43, 3989–3997

 

193 Ultra-trace determination of Persistent Organic Pollutants in Arctic ice using stir bar sorptive extraction and gas chromatography coupled to mass spectrometry

Silvia Lacorte,  Jordi Quintana, Romà Tauler, Francesc Ventura, Antonio Tovar and Carlos Duarte

J. of Chromatography A, 2009, 1216, 8581–8589 

 

194. Comments on a recently published paper ‘Some surprising properties of multivariate curve resolution-alternating least squares (MCR-ALS) algorithms’

R. Tauler

J. of Chemometrics, 2010, 24, 87-90

 

195. Stir bar sorptive extraction-thermal desorption-gas chromatography-mass spectrometry: an appropriate tool to determine Persistent Organic Pollutants and nonylphenol in coastal waters in compliance with existing Directives

Juan Sánchez-Avila, Jordi Quintana, Francesc Ventura, Romà Tauler, Carlos Duarte, Silvia Lacorte

Marine Polution Bulletin, 2010, 60, 103-112

 

196. Application of chemometric methods to environmental analysis of organic pollutants

Sílvia Mas, Anna de Juan, Romà Tauler, Alejandro C. Olivieri, Graciela M. Escandar

Talanta, 2010, 80, 1052–1067

 

197. Multivariate Resolution of organic pollution patterns in the Ebro River integrated surface water-groundwater-sediment-soil system

Marta Terrado, Damià Barceló, Romà Tauler

Analytica Chimica Acta 2010, 657 19–27

 

198. Surface water quality indices for the analysis of data generated by automated sampling networks

Marta Terrado, Antonio Gonzalez, Elena Borrell, Damià Barceló and Romà Tauler

Trends in Analytical Chemistry, 2010, 29, 40-52

 

199. Occurrence and transport of PAHs, pesticides and alkylphenols in sediment samples along the Ebro river Basin

Alicia Navarro, Romà Tauler, Sílvia Lacorte and Damià Barceló

J.of Hidrology, 2010, 383,  5–17

 

200. Occurrence and transport of pesticides and alkylphenols in water samples

along the Ebro River Basin

A, Navarro, R. Tauler, S. Lacorte, D. Barceló

J. of Hidrology, 2010, 383, 18-29

 

201. Application of the correlation constrained multivariate curve resolution alternating least-squares method for analyte quantitation in the presence of unexpected interferences using first-order instrumental data

Hector C. Goicoichea,  Alejandro C. Olivieri and Romà Tauler

The Analyst, 2010, 135, 636–642

 

202. Kinetic studies of nitrofurazone photodegradation by hybrid hard- and soft-multivariate curve resolution applied to UV-spectral data

Michele De Luca, Sílvia Mas, Giuseppina Ioele, Gaetano Ragno, Romà Tauler

International Journal of Pharmaceutics, 2010, 386, 1-2,  99-107

 

203. Multivariate Curve Resolution applied to Temperature Modulated Metal Oxide Gas Sensors

I. Montoliu, R. Tauler, M. Padilla, A. Pardo, S. Marco

Sensors and Actuators B-Chemical, 2010, 145, 464-473

 

204. Impacts of metals and nutrients released from melting multiyear Arctic sea

Ice.

Tovar-Sánchez, A., C.M. Duarte, J.C. Alonso, S. Lacorte, R. Tauler, C.  Galván

Journal of Geophysical Research – Oceans, 2010, 115,

 

205. Factorial Analysis of the Trihalomethane Formation in the Reaction of Colloidal, Hydrophobic and Transphilic Fractions of DOM with Free Chlorine

Joaquim C.G. Esteves da Silva, Ph.D.; Stefan Platikanov; Roma Tauler; Pedro Rodrigues; Maria Antunes; Dilson Pereira

Environmental Science and Pollution Research,  2010, 17, 1389-1400

 

206. Identifying major pesticides affecting bivalve species exposed to agricultural pollution using multi-biomarker and multivariate methods

Joana Damasio, Alicia Navarro, Roma Tauler, Silvia Lacorte, Damia` Barcelo, Amadeu M. V. M. Soares, Miguel Angel Lopez, Mari Carmen Riva • Carlos Barata

Ecotoxicology, 2010, 19, 1084-1094

 

207. Investigation of source composition and temporal distribution of volatile organic compounds (VOCs) in a suburban area of the northwest of Spain using chemometric methods

D. Pérez-Riala, P. López-Mahía, R. Tauler

Atmospheric Environment, 2010, 44, 5122-5132

 

208. MCR-BANDS:  An user friendly MATLAB program for the evaluation of rotational ambiguity in Multivariate Curve Resolution

Joaquim Jaumot and Romà Tauler.

Chemometrics and Intelligent laboratory Systems, 2010, 103, 96–107

 

209. Application of MCR methods to the analysis of yeast genome-wide screens

Joaquim Jaumot, Benjamí Piña and Romà Tauler

Chemometrics and Intelligent laboratory Systems, 2010, 104, 53-64

 

210. MCRC Software: A Tool for Chemometric Analysis of Two-Way Chromatographic Data

Mehdi Jalali-Heravi a,⁎, Hadi Parastar a, Mohsen Kamalzadeh b, Roma Tauler c, Joaquim Jaumot

Chemometrics and Intelligent Laboratory Systems, 2010, 104, 155-171

 

211. Quality assesment of river waters using risk indexes for substances and sites, based on the COMMPS procedure

E.Teixidó, M. Terrado, A. Ginebreda and R.Tauler

J. Environmetal Monitoring, 2010, 12, 2120–2127

 

212. Determination of water supply sources in the Bacelona distribution system  by UV spectrophotometry and PLS. 

Stefan Platikanov, Veronica Garcia, Ricard Devesa, LLeonard Matía, Romà Tauler,

Water Science Technology: Water Supply, 2011, 11, 45-54

 

213. Derivative FTIR spectroscopy for cluster analysis and classification of Marrocco Olive oils.

Michele De Luca, Wafa Terouzi, Giuseppina Loele, Fouzia Kzaiber, Abdelkhalek

Oussama, Filomena Oliverio, Romà Tauler and Gaetano Ragno*

Food Chemistry 2011, 124, 1113–1118

 

214. Investigation of the effect of pH and UV radiation on kinetic degradation of anthocyanin mixtures extracted from Hibiscus Acetosella.

Paulo Henrique Março, Ronei Jesus Poppi, Ieda Spacino Scarminio and Romà Tauler

Food Chemistry, 2011, 125, 1020-1027

 

215. Comprehensive description of the photodegradation of bromophenols using chromatographic monitoring and chemometric tools.

Sílvia Mas, Albert Carbó, Sílvia Lacorte, Anna de Juan and Romà Tauler

Talanta, 2011, 83, 1134-1146

 

216. Trilinearity and component interaction constraints in the Multivariate Curve Resolution investigation of NO and O3 pollution in Barcelona

Marta Alier, Mónica Felipe, Isabel Hernández and Romà Tauler

Anal. and Bioanal. Chemistry, 2011, 399, 2015–2029

 

217. Uniqueness and rotation ambiguities in Multivariate Curve Resolution methods

Hamid Andollahi and Romà Tauler

Chemometrics and Intelligent Laboratory Systems, 2011, 108, 100–111

 

218. Background correction and multivariate curve resolution of on-line liquid chromatography with infrared spectrometric detection (LC-IR)

Kuligowski, Julia; Quintas, Guillermo; TAULER, ROMA; Lendl, Bernhard; De La Guardia, Miguel

Analytical Chemistry, 2011, 83,  4855-4862

 

219. Chemometric analysis of excitation emission fluorescent nanocomposites

João M.M. Leitão, Roma Tauler and Joaquim C.G. Esteves da Silva

Journal of Fluorescence, 2011,  21, 1987–1996

 

220. Resolution and segmentation of hyperspectral biomedical images by Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS)

S. Piqueras, L. Duponchel, R.Tauler, A. de Juan

Anal. Chim. Acta, 2011, 705, 182-192

 

221 Chromatographic and spectroscopic data fusion analysis for interpretation of photodegradation processes.

Sílvia Mas; Romà Tauler; Anna de Juan

J. of Chromatography A, 2011,  A 1218, 9260-9268

 

222 A comparison of positive matrix factorization and the weighted multivariate curve resolution method. Application to environmental data

Ivana Stanimirova, Romà Tauler and Beata Walczak

Environmental Science and Technology, 2011, 45, 10102-10110

 

223 Resolution and quantification of complex mixtures of polycyclic aromatic hydrocarbons in heavy fuel oil sample by means of GC×GC-TOFMS combined to multivariate curve resolution

Hadi Parastar, Jagoš R. Radović, Jalali-Heravi, Sergi Diez, Josep Maria Bayona and Roma Tauler

Analytical Chemsitry, 2011, 83, 9289-9297

 

224. Preface

M. Daszykowski, R. Tauler,

Chemometrics and Intelligent Laboratory Systems 2011, 108,  1 0 

 

225. Foreword

R. Tauler, J. Goupy,

Chemometrics and Intelligent Laboratory Systems 2011, 106, 151 0 

 

226. Multiway and multiset data analysis

A. Smilde,  R. Tauler

Chemometrics and Intelligent Laboratory Systems 2011, 106, 1 0 

 

227 Comprehensive analysis of femtosecond transient absorption spectroscopy data: a review

C. Ruckebusch, M. Sliwa, P. Pernot, A. de Juan, and R .Tauler

Journal of Photochemistry and Photobiology C: Photochemistry Reviews, 2012, 13, 1-27

 

228 Is Independent Component Analysis Appropriate for Multivariate Resolution in Analytical Chemistry?

Hadi Parastara, Mehdi Jalali-Heravi, Roma Tauler                              

Trends in Analytical Chemistry, 2012, 31,  134-143

 

229. A study of pH-dependent photodegradation of amiloride by a multivariate curve resolution approach to combined kinetic and acid-base titration UV data

Michele De Luca, Giuseppina Ioele, Sílvia Mas, Romà Tauler. Gaetano Ragno

The Analyst, 2012, 22, 5428-35

 

230. Comprehensive two-dimensional gas chromatography peak alignment and modeling using multivariate curve resolution

Hadi Parastar, Mehdi Jalali-Heravi, Roma Tauler

Chemometrics and Intelligent laboratory Systems, 2012,  117, 80-

 

231. Relevant aspects of quantification and sample heterogeneity in hyperspectral image resolution

Sara Piqueras, James Burger , Romà Tauler and Anna de Juan

Chermometrics and Intelligent Laboratory Systems, 2012, 117, 169-182

 

232. Organic micropollutants in coastal waters from NW Mediterranean Sea: sources distribution and potential risk

Juan Sánchez-Avila, Romà Tauler and Silvia Lacorte

Environmental International, 2012, 46, 50-62

 

233. Study of the photodegradation of 2-Bromophemol under UV and sunlight by spectroscopic, chromatographic and chemometric techniques

Anusha Jayaraman, Sílvia Mas, Romà Tauler and Anna de Juan

J. Chromatography B,  2012, 910,  138-148

 

234. Chemometric evaluation of different experimental 1 conditions on wheat (Triticum aestivum L) development using liquid chromatography mass spectromety (LC-MS) profiles of benzoxazinone derivatives

Mireia Farrés, Marta Villagrasa, Ethel Eljarrat, Damià Barceló and Romà Tauler

Analytica Chimica Acta, 2012, 731,  24-31

 

235. Detection of olive oil adulteration using FT-IR spectroscopy and PLS with Variable Importance of Projection (VIP) scores

Fatiha  Elabadi , Stefan. Platikanov, Fouzia  Kzaiber,  Roma Tauler and Abdelkhalek Oussama

Journal of the American Oil Chemists' Society 2012,  89, 1807-1812

 

236. Changes in lipid content and fatty acid composition along the

reproductive cycle of the freshwater mussel Dreissena polymorpha: its

modulation by clofibrate exposure

Raimondo Lazzara, Denise Fernandes, Melissa Faria, Jordi F. López, Romà

Tauler, Cinta Porte

Science of the Total Environment, 2012, 432 (2012) 365–374

 

237. Maximum Likelihood Principal Component Analysis as initial projection step in Multivariate Curve Resolution analysis of noisy data

Mahsa Dadashi,  Hamid Abdollahi and Romà Tauler

Chemometrics and Intelligent Laboratory Systems, 2012, 118 (2012) 33–40

 

238. Linear and non-linear chemometric modeling of THM formation in Barcelona's water treatment plant

Stefan Platikanov, Jordi Martin, Romà Tauler

Science of total Environment, 2012, 432, 365-374 

 

239. Presenting SAPUSS: solving aerosol problem by using synergistic strategies at Barcelona, Spain

M. Dall’Osto, X. Querol, A. Alastuey, M. C. Minguillon, M. Alier,

F. Amato, M. Brines, M. Cusak, J. O. Grimalt, A. Karanasiou, T. Moreno,

M. Pandolfi, J. Pey, C. Reche, A. Ripoll, R. Tauler, B. L. Van Drooge,

M. Viana, R. M. Harrison, J. Gietl, D. Beddows, W. Bloss, C. O’Dowd,

D. Ceburnis, G. Martucci, S. Ng, D. Worsnop, J. Wenger, E. Mc Gillcuddy,

J. Sudou, R. Healy, F. Lucarelli, S. Nava, J. L. Jimenez, F. Gomez Moreno, B. Artinano, A. S. H. Prevot, L. Pfaffenberger, S. Frey, F. Wilsenack, D. Casabona, P. Jimenez-Guerrero, D. Gross, and N. Cotz

Atmos. Chem. and Physics., 2012, 12, 18741–18815

 

240. A sensitivity equation for quantitative analysis with multivariate curve resolution - alternating least-squares. Theoretical and experimental approach.

Bauza, María; Ibañez, Gabriela; Tauler, Roma; Olivieri, Alejandro

Analytical Chemistry, 2012,  84, 8697-8706

 

241 Study of photodegradation kinetics of melatonin by multivariate curve resolution (MCR) with estimation of feasible band boundaries

M. De Luca, M., R. Tauler,  and G. Ragno,

Drug Testing and Analysis, 2013, 5, 96-102

 

242. Exploring in vivo violacein biosynthesis by application of multivariate curve resolution on fused UV-VIS absorption, fluorescence and liquid chromatography-mass spectrometry data

Clecio Dantas, Romà Tauler  and Márcia Miguel Castro Ferreira

Analytical and Bioanalytical Chemistry, 2013, 405, 1293-1302

 

243. Application of Multivariate Curve Resolution Alternating Least Squares (MCR-ALS) to Remote Sensing Hyperspectral Imaging,

Xin Zhang, Romà Tauler

Analytica Chimica Acta, 2013, 762, 25-38

 

244. Application of Maximum Likelihood Multivariate Curve Resolution to noisy data sets

Mahsa Dadashi, Hamid Abdollahi and Roma Tauler

Journal of Chemometrics, 2013, 27, 34-41

 

245. Study of motor oil adulteration by infrared spectroscopy and chemometrics methods

M. Bassbasi , A. Hafid , S. Platikanov, R. Tauler, A. Oussama

Fuel, 2013, 104, 798-804

 

247. Influence of minerals on the taste of bottled and tap water: A chemometric approach

Platikanov, S.; Garcia, V.; Fonseca, I.; Rullán, E.; Devesa, R.; Tauler, R.

Water Research, 2013, 47, 693-704

 

248. Report on a meeting on rotational ambiguity in soft-modelling analyses 

De Juan, A.; Abdollahi, H.; Maeder, M.; Rajkó, R.; Tauler, R.

Journal of Chemometrics             2013,    27, 1-2  

 

249. Multivariate Curve Resolution of incomplete data multisets

Marta Alier, Romà Tauler

Chemometrics and Intelligent Laboratory Systems 2013, 127, 17-28

 

250. Sources, fluxes and risk of organic micropollutants to the Cantabrian Sea (Spain)

Juan Sánchez-Avila, Joana Vicente, Beatriz Echavarri-Erasun, Cinta Porte, Romà Tauler, Silvia Lacorte

Marine Pollution Bulletin, 2013, 72,  119–132

 

251 Source apportionment of submicron organic aerosol at an urban background

and a road site in Barcelona, Spain

Marta Alier, Barend L. van Drooge, Manuel Dall’Osto, Joan O. Grimalt, Romà Tauler

Atmos. Chem. Phys. Discuss., 13, 11167–11211

 

 

252 Chemometric Strategies To Unmix Information and Increase the Spatial Description of Hyperspectral Images: A Single-Cell Case Study

S. Piqueras, L. Duponchel, M. Offroy, F. Jamme, R. Tauler and A. de Juan

Analytical Chemistry, 2013, 85, 6303−6311

 

253  Solving Chromatographic Challenges in Comprehensive Two-Dimensional

Gas Chromatography-Time of Flight Mass Spectrometry Using Multivariate Curve Resolution-Alternating Least Squares

Hadi Parastar, Jagoš R. Radović, Josep M. Bayona, Roma Tauler

Analytical & Bioanalytical Chemistry, 2013, 405:6235–6249

 

254 Simultaneous anodic stripping voltammetric of Pb and Cd, using vibrating gold microwire electrode, assisted by chemoemtirc techniques.

Georgina M.S. Alves, Júlia M.C.S. Magalhães, R. Tauler and Helena M.V.M. Soares

Electroanalysis, 2013, 25 (8), 1895-1906

 

 

255 Extension and application of Multivariate Curve Resolution- Alternating Least Squares to four-way quadrilinear data-obtained in the investigation of pollution patterns on Yamuna River, India-A case study

Amrita Malik*, Roma Tauler

Analytica Chimica Acta, 2013, 794  20– 28

 

256 Identification of Metabolic Pathways in Daphnia magna Explaining Hormetic Effects of Selective Serotonin Reuptake Inhibitors and 4Nonylphenol Using Transcriptomic and Phenotypic Responses

Bruno Campos, Natàlia Garcia-Reyero, Claudia Rivetti, Lynn Escalon, Tanwir Habib, RomàTauler, Stefan Tsakovski, Benjamín Piña, and Carlos Barata

Environmental Science Technology  2013, 47, 9434−9443

 

257. Report on a meeting on rotational ambiguity in soft-modelling analyses

A. de Juan,  H. Abdollahi, M. Maeder, R. Rajko and R.Tauler

J, of Chemometrics, 2013,  27, 1-2 

 

258. Conformational Compression and Barrier Height Heterogeneity in the NAcetylglutamate Kinase

M.Sanchez-Martinez, E. Marcos, R.Tauler, M.artin Field and R. Crehuet

J. Phys. Chem. B 2013, 117, 14261−14272

 

259. Study of photodegradation kinetics of melatonin by multivariate curve resolution (MCR) with estimation of feasible band boundaries

M. De Luca, M., R. Tauler,  and G. Ragno,

Drug Testing and Analysis, 2013, 5, 96-102

 

260. Multivariate curve resolution of Hyphenated and Multidimensional Chromatographic Measurements: A New Insight to Address Current Chromatographic Challenges

H. Parastar, R.Tauler

Analytical Chemistry  2014, 86 (1), pp 286–297

 

261. Characterization of the environmental quality of sediments from two estuarine systems based on different in-vitro bioassays

Denise Fernandes, Silvia Pujol, Elisabet Pérez-Albaladejo, Romà Tauler, Maria João Bebiannoa, Cinta Porte

Marine Environmental Research, 2014, 96, 27-135

 

262. On the origin of water-soluble organic tracer compounds in fine aerosols in two

cities: the case of Los Angeles and Barcelona

Alier M., Dall Osto M., Lin Y.-H.2, Surratt J.D. Tauler R., Grimalt J.O., van Drooge B.L..

Environ Sci Pollut Res. 2014 DOI 10.1007/s11356-013-2460-9

 

263 Chemometric modelling of organic contaminat sources in surface waters of a mediterranean basin

A. G. Garcia-Reiriz, A. Olivieri, E. Teixidó, A. Ginebreda and R.Tauler

Environmental Science: Processes & Impacts 2014, 16, 124-134

 

264. FTIR-ATR determination of solid non fat (SNF) in raw milk using PLS and SVM chemometric methods

By: Bassbasi, M.; Platikanov, S.; Tauler, R.; et al.

FOOD CHEMISTRY  2014, 146, 250-254 

 

 

265 Chemometrics-Assisted Effect-Directed Analysis of Crude and Refined Oil Using Comprehensive Two-Dimensional Gas Chromatography−Time-of-Flight Mass Spectrometry

Jagoš R. Radović, Kevin V. Thomas, Hadi Parastar, Sergi Díez, RomàTauler, and Josep M. Bayona

Environmental Science & Technology  2014, 48, 3074−3083

 

266 Application ofcorrelationconstrainedmultivariatecurveresolution alternating least-quares methods for determination of compounds of interest in biodiesel blends using NIR and UV–visible spectroscopic data

Rodrigo Rocha de Oliveira, Kássio Michell Gomes de Lima, RomàTauler, Anna de Juan

Talanta 2014 125, 233–241

 

267. Distribution of dissolved organic matter in freshwaters using excitation emission fluorescence and Multivariate Curve Resolution

Xin Zhang, Rafael Marcé, Joan Armengol, Romà Tauler

Chemosphere 111 (2014) 120–128

 

268 Chemometrics quality assessment of wastewater treatment plant effluents using physicochemical parameters and UV absorption measurements

S. Platikanov, S. Rodriguez-Mozaz, B. Huerta, D. Barceló, J. Cros, M. Batle, G. Poch, R. Tauler

Journal of Environmental Management 140 (2014) 33-44

268 Chemometrics quality assessment of wastewater treatment plant effluents using physicochemical parameters and UV absorption measurements

S. Platikanov, S. Rodriguez-Mozaz, B. Huerta, D. Barceló, J. Cros, M. Batle, G. Poch, R. Tauler

Journal of Environmental Management 140 (2014) 33-44

 

269 Evaluation of transformer insulating oil quality using NIR, fluorescence, and NMR spectroscopic data fusion. 

Mariana S. Godinho, Marcos R. Blanco, Francisco F. Gambarra Neto, Luciano M. Lião, Marcelo M. Sena, Romà Tauler, Anselmo E. de Oliveira

Talanta  2014, 129,  143-9

 

270. Multivariate curve resolution of incomplete fused multiset data from chromatographic and spectrophotometric analyses for drug photostability studies 

Michele De Luca, Gaetano Ragno, Giuseppina Ioele, Romà Tauler

Analytica Chimica Acta, 2014, 837, 31-37

 

271. Performance and validation of MCR-ALS with quadrilinear constraint in the analysis of noisy datasets 

Amrita Malik, Romà Tauler

Chemometrics and Intelligent Laboratory systems, 2014, 135,  223-234 

 

272 Investigation of Arctic and Antarctic spatial and depth patterns of

sea water in CTD profiles using chemometric data analysis

Ewelina Kotwa, Silvia Lacorte, Carlos Duarte, Roma Tauler

Polar Science 2014, 8,  242-254

 

273. A non-target chemometric strategy applied to UPLC-MS sphingolipid analysis of a cell line exposed to chlorpyrifos pesticide: A feasibility study

K.M. Lima, C. Bedia and R. Tauler

Microchemical Journal, 2014, 117,  255-261

 

274 Monitoring polymorphic transformations by using in situ Raman

hyperspectral imagingandimagemultisetanalysis

S. Piqueras, L.Duponchel, R.Tauler, A.deJuan

Analytica ChimicaActa, 2014, 819, 15–25

 

275. Multivariate Curve Resolution (MCR). Solving the mixture analysis problem

A.de Juan, Anna, J. Jaumot, R. Tauler

Analytical Methods, 2014,  6, 4964-4976

 

276. Multivariate Curve Resolution with Alternating Least Squares: description, operation and applications.

M. P.Henrique, P. Valderrama, G. L. Alexandrino, R.J.Poppi, R.Tauler

Quimica Nova  2014, 37, 1525-1532   Published: 2014

 

277. European analytical column: A personal view on chemometrics and analytical chemistry

R.Tauler, F. Marini, B. Walczak, L. Buydens, R. G. Brereton, W. Buchberger,  P. J. Worsfold

Trends in Analytical Chemistry 2014, 56 ix–xii

Analytical and Bioanalytical Chemistry, 2014, 406  3525-3529 

Accreditation and Quality Assurance, 2014, 19. 225-229

Journal of Analytical Chemistry, 2014, Vol. 69, 812–816 

 

275. Potential use of multivariate curve resolution for the analysis of mass spectrometry images

Jaumot, Joaquim; Tauler, Roma

Analyst, 2015, 140   837-846 

 

276. Chemometric evaluation of Saccharomyces cerevisiae metabolic profiles using LC-MS

Farres, Mireia; Pina, Benjami; Tauler, Roma

Metabolomics, 2015, 11, 210-224.

 

277. Vibrational spectroscopic image analysis of biological material using multivariate curve resolution-alternating least squares (MCR-ALS).

Felten, Judith; Hall, Hardy; Jaumot, Joaquim; de Juan Anna; Tauler Roma;.

Nature protocols, 2015, 10, 217-40

 

278. MCR-ALS GUI 2.0: New features and applications

Jaumot, Joaquim; de Juan, Anna; Tauler, Roma

Chemometrics and Intelligent Laboratory Systems, 2015, 140   1-12

 

 279. Transcriptomic, biochemical and individual markers in transplanted Daphnia magna to characterize impacts in the field

Claudia Rivetti, Bruno Campos, Melissa Faria, Nuria De Castro Català, Amrita Malik, Isabel Muñoz, Romà Tauler, Amadeu M.V.M. Soares, Victoria Osorio, Sandra Pérez, Marina Gorga, Mira Petrovic, Nicola Mastroianni, Miren López de Alda, Ana Masiá, Julian Campo, Yolanda Picó, Helena Guasc, Damià Barceló, Carlos Barata

Science of the Total Environment, 2015, 503, 200-212  

 

280. Chemometric strategy for untargeted lipidomics: Biomarker detection and identification in stressed human placental cells 

Gorrochategui, Eva; Casas, Josefina; Porte, Cinta; Lacorte Silvia, Tauler Romà.

Analytica Chimica Acta, 2015, 854, 20-33

 

281. Exploring the interaction between O-3 and NOx pollution patterns in the atmosphere of Barcelona, Spain using the MCR-ALS method 

Malik, Amrita; Tauler, Roma

Science of the Total Environment,  2015, 517, 151-161  

 

282. Extraction of Pure Spectral Signatures and Corresponding Chemical Maps from EPR Imaging Data Sets: Identifying Defects on a CaF2 Surface Due to a Laser Beam Exposure 

Abou Fadel, Maya; Zhang, Xin; de Juan, Anna; Tauler Roma, Dupenchel Ludovic.

Analytical Chemistry, 2015, 87, 3929-3935

 

283. Multivariate calibration of first-order data with the correlation constrained MCR-ALS method 

Ahmadi, Golnar; Tauler, Roma; Abdollahi, Hamid

Chemometrics and Intelligent Laboratory Systems, 2015, 142, 143-150  

 

284. Phenotypic malignant changes and untargeted lipidomic analysis of long-term exposed prostate cancer cells to endocrine disruptors.

Bedia, C., Dalmau, N., Jaumot, J., Tauler, R.  

Environmental Research, 2015, 140, 18-31

 

285. qRT-PCR evaluation of the transcriptional response of zebra mussel to heavy metals 

Jaumot, Joaquim; Navarro, Anna; Faria, Melissa; Tauler Roma; Piña Benjamí.

BMC Genomics, 2015, 16,

 

286. Combination of CEMS and advanced chemometric methods for hight hroughput metabolic profiling

OrtizVillanueva, Elena; Jaumot, Joaquim; Benavente, Fernando; Piña, Benjamin; SanzNebot, Victoria; Tauler, Roma

Electrophoresis, 2015, 36, 2324-2335

 

287. Obesogens beyond Vertebrates: Lipid Perturbation by Tributyltin in the Crustacean Daphnia magna

Jordao, Rita; Casas, Josefina; Fabrias, Gemma; Campos, Bruno; Piña, Benjamin; Lemos, Marco F. L.; Soares, Amadeu M. V. M.; Tauler, Roma; Barata, Carlos

Environemental Health Perspectives, 2015, 123, 813-819

 

288. Obesogens beyond Vertebrates: Lipid Perturbation by Tributyltin in the Crustacean Daphnia magna

Jordao, Rita; Casas, Josefina; Fabrias, Gemma; Campos, Bruno; Piña, Benjamin; Lemos, Marco F. L.; Soares, Amadeu M. V. M.; Tauler, Roma; Barata, Carlos

Environemental Health Perspectives, 2015, 123, 813-819

 

289. Extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7 Ma old (IODPU1318)

Farres, Mireia; Martrat, Belen; de Mol, Ben; Grimalt, Joan O.; Tauler, Roma

Analytica Chimica Acta, 2015, 879, 1-9

 

290 A quantitative H1 NMR approach for evaluating the metabolic response of Saccharomyces cerevisiae to mild heat stress

PuigCastellvi, Francesc; Alfonso, Ignacio; Piña, Benjami; Tauler, Roma

Metabolomics, 2015, 11, 1612-1625

 

291. Landscape and local factors influence water purification in the Monteregian agroecosystem in Quebec, Canada

Terrado, Marta; Tauler, Roma; Bennett, Elena M.;

 

Regional Environmental Change, 2015, 15, 1743-1755

 

292. Dalmau, Nuria; Jaumot, Joaquim; Tauler, Roma; Bedia, Carmen

Epithelialtomesenchymal transition involves triacylglycerol accumulation in DU145 prostate cancer cells

Molecular Biosystems, 2015, 11, 3397-3406

 

293 Evaluation of changes induced in rice metabolome by Cd and Cu exposure using LCMS with XCMS and MCRALS data analysis strategies

Navarro Reig, Meritxell; Jaumot, Joaquim; Garcia Reiriz, Alejandro; Tauler,  Roma

Analytical and Bioanalytical Chemistry, 2015, 407, 8835-8847

 

294. Measuring and comparing the resolution performance and the extent of rotation ambiguities of some bilinear modeling methods

Zhang, Xin; Tauler, Roma

Chemometics and Intelligent Laboratory Systems, 2015, 147, 47-57

 

295. Comparison of the variable importance in projection (VIP) and of the selectivity ratio (SR) methods for variable selection and interpretation

Farres, Mireia; Platikanov, Stefan; Tsakovski, Stefan; Tauler, Roma

Journal of Chemometrics, 2015, 29, 528-536

 

296. Multivariate Curve Resolution Applied to Hyperspectral Imaging Analysis of Chocolate Samples

Zhang, Xin; de Juan, Anna; Tauler, Roma

Applied Spectroscopy, 2015, 69, 993-1003

 

297. Combining multiset resolution and segmentation for hyperspectral image analysis of biological tissues

Piqueras, S; Krafft, C; Beleites, C; Egodage, K; von Eggeling, F; Guntinas Lichius, O; Popp, J.; Tauler, R.; de Juan, A.

Analytica Chimica Acta, 2015, 881, 24-36

 

298. Local rank-based spatial information for improvement of remote sensing hyperspectral imaging resolution

Zhang, Xin; de Juan, Anna; Tauler, Roma

Talanta, 2015, 146 ,1-9 

 

299. Exploring the disruptive effects of TBT on lipid homeostasis of Daphnia magna using chemometric methods

A Malik, R Jordao, B Campos, J Casas, C Barata, R Tauler

Chemometrics and Intelligent Laboratory Systems 2016,159, 58-68            

http://dx.doi.org/10.1016/j.chemolab.2016.08.010    

 

 

300. Mechanisms of Action of Compounds That Enhance Storage Lipid Accumulation in Daphnia magna

R Jordão, B Campos, B Piña, R Tauler, AMVM Soares, C Barata

Environmental Science & Technology  2016. 50 (24), 13565-13573

DOI: 10.1021/acs.est.6b04768

 

 

301. Chemometric analysis of comprehensive LC× LC-MS data: Resolution of triacylglycerol structural isomers in corn oil

M Navarro-Reig, J Jaumot, TA van Beek, G Vivó-Truyols, R Tauler

Talanta 2016, 160, 624-635, DOI: 10.1016/j.talanta.2016.08.005

 

 

302. Compression strategies for the chemometric analysis of mass spectrometry imaging data

C Bedia, R Tauler, J Jaumot

Journal of Chemometrics 2016, 30 (10), 575-588, DOI: 10.1002/cem.2821                   

 

303. Data analysis strategies for targeted and untargeted LC-MS metabolomic studies: Overview and workflow

E Gorrochategui, J Jaumot, S Lacorte, R Tauler

TrAC Trends in Analytical Chemistry 2016, 82, 425-442, DOI: 10.1016/j.trac.2016.07.004       

 

304 Area correlation constraint for the MCR− ALS quantification of cholesterol using EEM fluorescence data: A new approach

AC de Oliveira Neves, R Tauler, KMG de Lima

Analytica Chimica Acta 2016, 937, 21-28, DOI: 10.1016/j.aca.2016.08.011    

 

 

305. Targeted metabolomics of Gammarus pulex following controlled exposures to selected pharmaceuticals in water

C Gómez-Canela, TH Miller, NR Bury, R Tauler, LP Barron

Science of The Total Environment 2016, 562, 777-788,

DOI: 10.1016/j.scitotenv.2016.03.181                         

 

306. Two generational effects of contaminats in Daphnia Magna: Effects of offsring quality

B. Campos, R. Jordao, C.Rivetti,  MFL. Lemos, MFL, AMVM Soares, R. Tauler, C. Barata

Environmental Toxicology and Chemistry, 2016, 35, 1470-1477,

DOI: 10.1002/etc.3290                   

 

307. Assessment of the effects of As (III) treatment on cyanobacteria lipidomic profiles by LC-MS and MCR-ALS

AS Marques, C Bedia, KMG Lima, R Tauler

Analytical and Bioanalytical Chemistry 2016, 408 (21), 5829-5841,

DOI: 10.1007/s0021601696955

 

308. Induction of multixenobiotic defense mechanisms in resistant Daphnia magna clones as a general cellular response to stress

R Jordão, B Campos, MFL Lemos, AMVM Soares, R Tauler, C Barata

Aquatic Toxicology 2016, 175, 132-143    , DOI: 10.1016/j.aquatox.2016.03.015          

 

309. Metabolic profiling of Daphnia magna exposed to environmental stressors by GC–MS and chemometric tools

E Garreta-Lara, B Campos, C Barata, S Lacorte, R Tauler

Metabolomics 2016, 12 (5), 1-14  2, DOI: 10.1007/s113060161021x 

 

310. Perfluoroalkylated Substance Effects in Xenopus laevis A6 Kidney Epithelial Cells Determined by ATR-FTIR Spectroscopy and Chemometric Analysis

E Gorrochategui, S Lacorte, R Tauler, FL Martin

Chemical Research in Toxicology 2016, 29 (5), 924-932,

DOI: 10.1021/acs.chemrestox.6b00076      

 

 

311. FTIR spectroscopy and PLS-DA classification and prediction of four commercial grade virgin olive oils from morocco

A Hirri, M Bassbasi, S Platikanov, R Tauler, A Oussama

Food Analytical Methods 2016, 9 (4), 974-981, DOI: 10.1007/s121610150255y           

 

312. A review of recent methods for the determination of ranges of feasible solutions resulting from soft modelling analyses of multivariate data

A Golshan, H Abdollahi, S Beyramysoltan, M Maeder, K Neymeyr, R.Rajko, M.Sawall, R.Tauler

Analytica Chimica Acta 2016, 911, 1-13    , DOI: 10.1016/j.aca.2016.01.011  

 

313. Compounds altering fat storage in Daphnia magna

R Jordão, E Garreta, B Campos,  MFL Lemos,  AMVM Soares, R Tauler, C.Barata

Science of the Total Environment 2016, 545, 127-136,

DOI: 10.1016/j.scitotenv.2015.12.097          

 

314. Analytical investigation of secondary metabolites extracted from Camellia sinensis L. leaves using a HPLCDADESI/MS data fusion strategy and chemometric methods

ED Pauli, IS Scarminio, R Tauler

Journal of Chemometrics 2016, 30 (2), 75-85, DOI: 10.1002/cem.2772                        

 

315. Metabolic profiling for the identification of Huntington biomarkers by online solidphase extraction capillary electrophoresis mass spectrometry combined with advanced data analysis tools

L Pont, F Benavente, J Jaumot, R Tauler, J Alberch, S Ginés, J Barbosa, ...

Electrophoresis, 2016, 2016, 37, 795-808, DOI: 10.1002/elps.201500378

 

316. 1H NMR metabolomic study of auxotrophic starvation in yeast using Multivariate Curve Resolution-Alternating Least Squares for Pathway Analysis

F Puig-Castellví, I Alfonso, B Piña, R Tauler

Scientific Reports            2016, 30982, DOI: 10.1038/srep30982

 

 

317. LC-MS based metabolomics and chemometrics study of the toxic effects of copper on Saccharomyces cerevisiae

M Farres, B Pina, R Tauler

Metallomics        2016, 8, 790-798, DOI: 10.1039/c6mt00021e

 

318. Local rank-based spatial information for improvement of remote sensing hyperspectral imaging resolution

X Zhang, A de Juan, R Tauler

Talanta 2016, 146, 1-9, DOI: 10.1016/j.talanta.2015.08.017                

 

319. Integration of UltravioletVisible spectral and physicochemical data in chemometrics analysis for improved discrimination of water sources and blends for application to the complex drinking water distribution network of Barcelona

R. LopezRoldan, S. Platikanov, J. Martin Alonso, R. Tauler, S. Gonzalez, J.L. Cortina

Journal of Cleaner Production, 2016, 112, 4789-4798

DOI: 10.1016/j.jclepro.2015.06.074

320 Detection of formaldehyde oxidation catalysis by MCR-ALS analysis of multiset ToF-SIMS data in positive and negative modes

X.Zhang, N. Nuns, J.-F Lamonier, R.Tauler, L. Duponchel

Chemometrics and Intelligent Laboratory Systems, 2017, 171, 80-85.

DOI: 10.1016/j.chemolab.2017.10.013

 

321 Analysis of multiple mass spectrometry images from different Phaseolus vulgaris samples by multivariate curve resolution

C.Bedia, R.Tauler, J.Jaumot.

Talanta, 2017, 175, 557-565.

DOI: 10.1016/j.talanta.2017.07.087

 

322 Linking the morphological and metabolomic response of Lactuca sativa L exposed to emerging contaminants using GC × GC-MS and chemometric tools

C.Hurtado, H. Parastar, V. Matamoros, B.Piña, R.Tauler, J.M.Bayona

Scientific Reports, 2017, 7 art. no. 6546, electronic publication.

DOI: 10.1038/s41598-017-06773-0

 

323 Modelling of hydrophilic interaction liquid chromatography stationary phases using chemometric approaches

M.Navarro-Reig, E.Ortiz-Villanueva, R.Tauler, J.Jaumot

Metabolites, 2017, 7, 54

DOI: 10.3390/metabo7040054

 

324 Modelling acrylamide acute neurotoxicity in zebrafish larvae

E.Prats, C.Gómez-Canela, S.Ben-Lulu, T.Ziv, F. Padrós, D.Tornero, N.Garcia-Reyero, R.Tauler, A. Admon, D. Raldúa

Scientific Reports, 2017, 7 (1), 13952

DOI: 10.1038/s41598-017-14460-3

 

325 Analysis of neurobehavioural data by chemometric methods in ecotoxicological studies

C.Gómez-Canela, E.Prats, R.Tauler, D.Raldúa

Ecotoxicology and Environmental Safety, 2017, 145, 583-590.

DOI: 10.1016/j.ecoenv.2017.08.013

 

326 Chemometrics in analytical chemistry—part I: history, experimental design and data analysis tools

R.G.Brereton, J.Jansen, J.Lopes, F.Marini, A. omerantsev, O.Rodionova, J.M.Roger, B.Walczak, R.Tauler

Analytical and Bioanalytical Chemistry, 2017, 409, 5891-5899.

DOI: 10.1007/s00216-017-0517-1

 

327 Editorial

Hopke, P.K., Tauler, R.

Chemometrics and Intelligent Laboratory Systems, 2017,168, A1.

DOI: 10.1016/j.chemolab.2017.07.003

 

328 Relevant aspects of unmixing/resolution analysis for the interpretation of biological vibrational hyperspectral images

V.Olmos, L.Benítez, M.Marro, P.Loza-Alvarez, B.Piña, R.Tauler, A.de Juan

TrAC - Trends in Analytical Chemistry, 2017, 94, 130-140.

DOI: 10.1016/j.trac.2017.07.004

 

329 Receptor modeling of environmental aerosol data using MLPCA-MCR-ALS

Y.Izadmanesh, J.B.Ghasemi, R.Tauler

Chemometrics and Intelligent Laboratory Systems, 2017,167, 50-62.

DOI: 10.1016/j.chemolab.2017.05.008

 

330 Unraveling the Multistimuli Responses of a Complex Dynamic System of Pseudopeptidic Macrocycles

Valdivielso, A.M., Puig-Castellví, F., Atcher, J., Solà, J., Tauler, R., Alfonso, I.

Chemistry - A European Journal, 2017, 23 (45), 10789-10799.

DOI: 10.1002/chem.201701294

 

331. Knowledge integration strategies for untargeted metabolomics based on MCR-ALS analysis of CE-MS and LC-MS data

E.Ortiz-Villanueva, F.Benavente, B.Piña, V.Sanz-Nebot, R.Tauler, J.Jaumot

Analytica Chimica Acta, 2017, 978, pp. 10-23.

DOI: 10.1016/j.aca.2017.04.049

 

332 Untargeted Comprehensive Two-Dimensional Liquid Chromatography Coupled with High-Resolution Mass Spectrometry Analysis of Rice Metabolome Using Multivariate Curve Resolution

M.Navarro-Reig, J.Jaumot, A.Baglai, G.Vivó-Truyols, P.J.Schoenmakers, R.Tauler

Analytical Chemistry, 2017, 89 (14), pp. 7675-7683.

DOI: 10.1021/acs.analchem.7b01648

 

333 Metabolomic analysis of the effects of cadmium and copper treatment in: Oryza sativa L. using untargeted liquid chromatography coupled to high resolution mass spectrometry and all-ion fragmentation

M.Navarro-Reig, J.Jaumot, B.Piña, E.Moyano, M.Galceran, R.Tauler

Metallomics, 2017, 9 (6), 660-675.

DOI: 10.1039/c6mt00279j

 

334 A new matching image preprocessing for image data fusion

Piqueras Solsona, S., Maeder, M., Tauler, R., de Juan, A.

Chemometrics and Intelligent Laboratory Systems, 2017, 164, pp. 32-42.

DOI: 10.1016/j.chemolab.2017.02.013

 

335 Untargeted assignment and automatic integration of 1H NMR metabolomic datasets using a multivariate curve resolution approach

F.Puig-Castellví, I.Alfonso, R.Tauler

Analytica Chimica Acta, 2017, 964, 55-66.

DOI: 10.1016/j.aca.2017.02.010

 

336. Powerful combination of analytical and chemometric methods for the photodegradation of 5-Fluorouracil

C.Gómez-Canela, G.Bolivar-Subirats, R. Tauler, S.Lacorte

Journal of Pharmaceutical and Biomedical Analysis, 2017, 137, 33-41.

DOI: 10.1016/j.jpba.2017.01.019

 

337. Error propagation along the different regions of multivariate curve resolution feasible solutions

M.Dadashi, H.Abdollahi, R.Tauler

Chemometrics and Intelligent Laboratory Systems, 2017, 162, 203-213.

DOI: 10.1016/j.chemolab.2017.01.009

 

338. Chemometric analysis of comprehensive two dimensional gas chromatography–mass spectrometry metabolomics data

Y.Izadmanesh, E.Garreta-Lara, J.B.Ghasemi, S.Lacorte, V.Matamoros, R.Tauler

 Journal of Chromatography A, 2017, 1488, 113-125.

DOI: 10.1016/j.chroma.2017.01.052

 

339. Unveiling the metabolic changes on muscle cell metabolism underlying p-phenylenediamine toxicity

I.M.de Mas, S.Marín, G., Pachón, J.C.Rodríguez-Prados, P.Vizán, J.J.Centelles, R.Tauler, A.Azqueta, V.Selivanov, A.L.Ceraín, M.Cascante, M.

Frontiers in Molecular Biosciences, 2017, 4, 8

DOI: 10.3389/fmolb.2017.00008

 

340. The effect of data matrix augmentation and constraints in extended multivariate curve resolution–alternating least squares

A.C.Olivieri, R.Tauler

Journal of Chemometrics, 2017, 31, e2875, .

DOI:  10.1002/cem.2875

 

341. Chemometric evaluation of hydrophilic interaction liquid chromatography stationary phases: Resolving complex mixtures of metabolites

E.Ortiz-Villanueva, M.Navarro-Reig, J.Jaumot, R.Tauler

Analytical Methods, 2017, 9 (5), 774-785.

DOI: 10.1039/c6ay02976k

 

342. A systematic study on the effect of noise and shift on multivariate figures of merit of second-order calibration algorithms

M.Ahmadvand, H.Parastar, H.Sereshti, A.Olivieri, R.Tauler

Analytica Chimica Acta, 2017, 952, 18-31.

DOI: 10.1016/j.aca.2016.11.070

 

343. Structural Analysis of Multi-component Amyloid Systems by Chemometric SAXS Data Decomposition

F.Herranz-Trillo, M.Groenning, A. van Maarschalkerweerd, R.Tauler, B.Vestergaard, P.Bernadó

Structure, 2017, 25, 5-15.

DOI: 10.1016/j.str.2016.10.013

 

344. Metabolic disruption of zebrafish (Danio rerio) embryos by bisphenol A. An integrated metabolomic and transcriptomic approach

E.Ortiz-Villanueva, L.Navarro-Martín, J.Jaumot, F.Benavente, V.Sanz-Nebot, B.Piña, R.Tauler

Environmental Pollution, 2017, 231, 22-36.

DOI: 10.1016/j.envpol.2017.07.095

 

345. Assessment of chlorpyrifos toxic effects in zebrafish (Danio rerio) metabolism

C.Gómez-Canela, E.Prats, B.Piña, R.Tauler

Environmental Pollution, 2017, 220, 1231-1243.

DOI: 10.1016/j.envpol.2016.11.010

 

346. Predicting consumer preferences for mineral composition of bottled and tap water

S.Platikanov, A.Hernández, S.González, J.L.Luis Cortina, R.Tauler, R.Devesa

Talanta, 2017, 162, 1-9.

DOI: 10.1016/j.talanta.2016.09.057

 

347. Diet-sourced carbon-based nanoparticles induce lipid alterations in tissues of zebrafish (Danio rerio) with genomic hypermethylation changes in brain

E.Gorrochategui, J.Li, N.J. Fullwood, G.G.Ying, M.Tian, L.Cui, H.Shen, S.Lacorte, R.Tauler, F.L.Martin.

Mutagenesis, 2017, 32, 91-103.

DOI: 10.1093/mutage/gew050

 

348. Combining hyperspectral imaging and chemometrics to assess and interpret the effects of environmental stressors on zebrafish eye images at tissue level.

V.Olmos, Victor; Marro, Monica; Loza-Alvarez, Pablo; Raldua, Demetrio; Prats, Eva; Padros, Francesc; Pina, Benjamin; Tauler, Roma; de Juan, Anna

Journal of Biophotonics, 2018, 11,3,e201870133,2018,WILEYVCH Verlag GmbH & Co. KGaA Weinheim

DOI: 10.1002/jbio.201700089

 

349. Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples

Francesc Puig-Castellvı, Yolanda Perez,  Benjamın Pina, Roma Tauler and Ignacio Alfonso

ChemComm, 2018, 54, 3090-3093

DOI: 10.1039/c7cc09891j

 

350. Comprehensive characterization of neurochemicals in three zebrafish chemical models of human acute organophosphorus poisoning using liquid chromatography-tandem mass spectrometry

Cristian Gómez-Canela & Daniel Tornero-Cañadas & Eva Prats & Benjamí Piña & Romà Tauler & Demetrio Raldúa

Analytical and Bioanalytical Chemistry, 2018, 410, 1735–1748

DOI: 10.1007/s00216-017-0827-3

 

 351. Chemometrics comparison of gas chromatography with mass spectrometry and comprehensive two-dimensional gas chromatography with time-of-ight mass spectrometry Daphnia magna metabolic proles exposed to salinity

H.Parastar, E.Garreta-Lara, B.Campos, C.Barata, S.Lacorte, R.T auler

Journal of Separation Science, 2018, 41, 11 (Epub 2018 Feb 27)

DOI:10.1002/jssc.201701336

 

352. Exposure to chlorpyrifos induces morphometric, biochemical and lipidomic alterations in green beans (Phaseolus vulgaris)

C.Fernandes, E.Figueira, R.Tauler, C.Bedia

Ecotoxicology and Environmental Safety, 2018, 156, 25-33

DOI:10.1016/j.ecoenv.2018.03.005

 

353. Preprocessing Tools Applied to Improve the Assessment of Aldrin Effects on Prostate Cancer Cells Using Raman Spectroscopy.

V.Olmos, C. Bedia, R.Tauler, A.de Juan

Applied spectroscopy, 2018, 72, 489-500

DOI:10.1177/0003702817746947

 

354. Chemometrics strategies for peak detection and profiling from multidimensional chromatography

M.Navarro-Reig, C.Bedia, R.Tauler and J.Jaumot

Proteomics, 2018 e1700327

DOI:10.1002/pmic.201700327

 

355. Big (Bio)Chemical Data Mining Using Chemometric Methods: A Need for Chemists.

H. Parastar, R.Tauler

Angewandte Chemie (International ed. in English), 2018

DOI:10.1002/anie.201801134

 

356. Assessment of endocrine disruptors effects on zebrafish (Danio rerio) embryos by untargeted LC-HRMS metabolomic analysis

E.Ortiz-Villanueva, J.Jaumot, R.Martínez, L.Navarro-Martín, B.Piña, R.Tauler

Science of Total Environment, 2018, 635,156-166

DOI:10.1016/j.scitotenv.2018.03.369

 

357. Untargeted lipidomic analysis of primary human epidermal melanocytes acutely and chronically exposed to UV radiation

N.Dalmau; N.Andrieu-Abadie, R.Tauler, C.Bedia

Molecular Omics, 2018, 14, 170-180

DOI: 10.1039/C8MO00060C

 

358. Handling different spatial resolution in image fusion by Multivari-ate Curve Resolution-Alternating Least Squares for incomplete image multisets.

S.Piqueras, C.Bedia, C. Beleites, C. Krafft, J. Popp, M.Maeder, R.Tauler, A.de Juan

Analytical Chemistry, 2018, 90, 6757-6765

DOI: 10.1021/acs.analchem.8b062

 

359. Validation of the Regions of Interest Multivariate Curve Resolution (ROIMCR) procedure for untargeted LC-MS lipidomic analysis

N.Dalmau, C.Bedia, R.Tauler

Analytica Chimica Acta, 2018, 1025, 80-91,

DOI: https://doi.org/10.1016/j.aca.2018.04.003

 

360. Differential gene transcription across life-stages in Daphnia magna using a new all genome custom-made microarray

B.Campos, D. Fletcher, B.Piña, R.Tauler, C.Barata

BMC Genomics, 2018, 19:370

DOI: https://doi.org/10.1186/s12864-018-4725-7

 

361. Deciphering the underlying metabolomic and lipidomic patterns linked to thermal acclimation in Saccharomyces cerevisiae

F.Puig-Castellví, C.Bedia, I.Alfonso, B.Piña, R.Tauler

Journal of Proteome Research 2018, 17, 6, 2034-2044

DOI:10.1021/acs.jproteome.7b00921

 

362. An untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis

Meritxell Navarro-Reig, Joaquim Jaumot, Romà Tauler

Journal of Chromatography A, 2018, 1568,,80-90

DOI: https://doi.org/10.1016/j.chroma.2018.07.017

 

363. Effects of psychiatric drugs on Daphnia magna oxylipin profiles.

E.Garreta-Lara, A.Checa, D. Fuchs, R.Tauler, S. Lacorte, C.E. Wheelock, C.Barata. 

Science of Total Environment, 2018, 644,1101-1109

DOI: https://doi.org/10.1016/j.scitotenv.2018.06.333

 

364. Phenotypic and lipidomic characterization of primary keratinocytes exposed to simulated solar UV radiation

N.Dalmau, N.Andrieu-Abadie, R.Tauler and C.Bedia

Journal of Dermatological Science, 2018, 92, 97-105.

DOI: doi.org/10.1016/j.jdermsci.2018.07.002

 

365. Multivariate curve resolution of organic pollution patterns in mangrove forest sediment from Qeshm Island and Khamir Port—Persian Gulf, Iran,

M.Dadashi, S. Ghaffari, A.R.Bakhtiari, R.Tauler

Environmental Science and Pollution Research, 2018, 25,1,723-735.

https://doi.org/10.1007/s11356-017-0450-z

 

366. A chemometric approach for characterization of serum transthyretin in familial amyloidotic polyneuropathy type I (FAP-I) by electrospray ionization-ion mobility mass spectrometry

L.Pont, V.Sanz-Nebot, M.Vilaseca, J. Jaumot, R.Tauler, F. Benavente.

Talanta, 2018, 181,87-94

https://doi.org/10.1016/j.talanta.2017.12.072    

 

367. Investigation of the photodegradation profile of tamoxifen using spectroscopic and chromatographic analysis and multivariate curve resolution

M.Marín-García, G.Ioele, H.Franquet-Griell, S.Lacorte, G.Ragno, R.Tauler, Chemometrics and Intelligent Laboratory Systems, 2018, 174,128-141

https://doi.org/10.1016/j.chemolab.2018.01.011

 

368. Quantifying the prediction error in analytical multivariate curve resolution studies of multicomponent systems

R.Pellegrino Vidal, A.C.Olivieri, R.Tauler

Analytical Chemistry, 2018, 90, 7040–7047

DOI: 10.1021/acs.analchem.8b01431

 

369. Chemometrics in analytical chemistry—part II: modeling, validation, and applications

R.G.Brereton, J.Jansen, J.Lopes, F.Marini, A.Pomerantsev, O. Rodionova, J.M.Roger, B. Walczak, R.Tauler

Analytical and Bioanalytical Chemistry, 2018, 410, 6691-6704

DOI: https://doi.org/10.1007/s00216-018-1283-4

 

370. Dose-dependent transcriptomic responses of zebrafish eleutheroembryos to Bisphenol A.

Martinez, Ruben; Esteve-Codina, Anna; Herrero-Nogareda, Laia; Ortiz-Villanueva, Elena; Barata, Carlos; Tauler, Roma; Raldua, Demetrio; Pina, Benjamin; Navarro-Martin, Laia

Environmental Pollution, 2018, 243, 988-997

DOI:10.1016/j.envpol.2018.09.043

 

 

371. Metabolomic changes induced by nicotine in adult zebrafish skeletal muscle.

Gomez-Canela, Cristian; Prats, Eva; Lacorte, Silvia; Raldua, Demetrio; Pina, Benjami; Tauler, Roma

Ecotoxicology and environmental safety, 2018, 164, 388-397,

DOI:10.1016/j.ecoenv.2018.08.042

 

372. Chemometrics analysis of petroleum hydrocarbons sources in the street dust, runoff and sediment of urban rivers in Anzali port - South of Caspian Sea.

Azimi, Ali; Bakhtiari, Alireza Riahi; Tauler, Roma

Environmental Pollution, 2018, 243, 374-382

DOI:10.1016/j.envpol.2018.08.073

 

373. Acrylamide acute neurotoxicity in adult zebrafish

Faria, M,  Ziv, T, Gomez-Canela C, Ben-Lulu S, Prats E, Novoa-LunaKA,  Admon, A, Pina B, Tauler R, Gomez-Olivan LM, Raldua D

Scientific Reports, 2018, 8, Nr7918

DOI: 10.1038/s41598-018-26343-2

 

374. Combining hyperspectral imaging and chemometrics to assess and interpret the effects of environmental stressors on zebrafish eye images at tissue level

Olmos V,  Marro M, Loza-Alvarez P, Raldua D, Prats E, Padros F, Pina B,   Tauler R, de Juan A

Journal of Photonics, 2018, 11, nr. e201700089

DOI: 10.1002/jbio.201700089

 

375. Comprehensive characterization of neurochemicals in three zebrafish chemical models of human acute organophosphorus poisoning using liquid chromatography-tandem mass spectrometry

Cristian Gómez-Canela & Daniel Tornero-Cañadas & Eva Prats & Benjamí Piña & Romà Tauler & Demetrio Raldúa

Analytical and Bioanalytical Chemistry, 2018, 410:1735–1748

DOI: 10.1007/s00216-017-0827-3

 

376 Comparative analysis of 1H NMR and 1H–13C HSQC NMR metabolomics to understand the effects of medium composition in yeast growth

Francesc Puig-Castellví† , Yolanda Pérez‡, Benjamín Piña†, Romà Tauler† , and Ignacio Alfonso*

Analytical Chemistry 2018, 90 (21), pp 12422–12430

DOI: 10.1021/acs.analchem.8b01196

 

377. Assessment of tissue-specific multifactor effects in environmental -omics studies of heterogeneous biological samples: combining hyperspectral image information and chemometrics

Víctor Olmos, Mónica Marro, Pablo Loza-Alvarez, Demetrio Raldúa, Eva Prats, Benjamí Piña, Romà Tauler, Anna de Juan.

Talanta, 2019, 194,390-398

DOI: 10.1016/j.talanta.2018.10.029

 

378. Untargeted lipidomic evaluation of hydric and heat stresses on rice growth

Meritxell Navarro-Reig, Romà Tauler, Guillermo Iriondo-Frias, Joaquim Jaumot

Journal of Chromatography B 2019, 1104, 148–156

DOI: 10.1016/j.jchromb.2018.11.018

Books and chapter books

Anàlisi de mescles mitjançant resolució multivariant de corbes.

R.Tauler.

Arxius de la Secció de Ciencies, Vol 115, Secció de Ciències i Tecnologia, Institut d'Estudis Catalans, Barcelona, 1997.ISBN 84-7283-353-43

 

Introducció a la modelització en els estudis d'especiació química d'ions metàl.lics en els sistemes biològics.

A. Izquierdo-Ridorsa i R.Tauler.

Monografies de les Seccions de Ciències, Vol 10, Cap 3. Modelització macroscòpica en ciencies experimentals., Institut d'Estudis Catalans, Barcelona, 1997, 39-52.

 

El Calibratge dels instruments de mesura: Calibratge univariant

R.Tauler and A.Izquierdo-Ridorsa,

Monografies de les Seccions de Ciències, Vol 13, Del plaer dels sentits al plaer de les xifres, Cap 6, Institut d'Estudis Catalans. Barcelona, 1997, 167-206

 

El Calibratge dels instruments de mesura: La instrumentació moderna i els mètodes de calibratge multivariant .

R.Tauler and A.Izquierdo-Ridorsa,

Monografies de les Seccions de Ciències, , Vol 13, Del plaer dels sentits al plaer de les xifres, Cap 7, Institut d'Estudis Catalans. Barcelona, 1997, 207-232

 

Interpretation of environmental data using chemometrics

R.Tauler

Sample Handling and Trace Analysis of  Pollutants: Techniques, Applications and Quality Assurance, Chapter 16. Edited by D.Barceló, Elsevier, 2000, 689-734.

 

Soft Modeling of Analytical Data.

A.de Juan, E.Casassas and R.Tauler,

Encyclopedia of Analytical Chemistry: Instrumentation and Applications. Edited by R.A.Meyers, John Wiley & Sons, 2000, Vol 11, 9800-9837

 

Soft Modelling Techniques. A Tool for Studying Solvent Extraction Processes.

J.L.Cortina, M.Aguilar, M.El Gharbi and R.Tauler.

Solvent extraction for the 21st Century (ISEC'99), M.Cox, M.Hidalgo and M.Valiente Eds. Society of Chemical Industry, London, 2001, 1561-1566, ISBN 0-901001-84-8

 

Chemometrics Modelling of Environmental Data Sets.

Roma Tauler, Emma Pere,Trepat, Silvia Lacorte, Damia Barcelo.

In Pahl, C., Schmidt, S. and Jakeman, T. (eds) iEMSs 2004 International Congress: "Complexity and Integrated Resources Management".

International Environmental Modelling and Software Society, Society, Osnabrueck, Germany, June 2004. http://www.iemss.org/iemss2004/proceedings

Preliminary results in the determination of meat and bone meal in feedingstuffs.

S.Termes, R. Tauler, A. Puigdomènech.

In NearInfrared Spectroscopy: Proceedings of the 11th NIRS International Conference. Edited by A.M.C. Davies and A. Garrido-Varo. NIR Publications, Chichester, UK pp.659-662, 2004 NIR publications. www.nirpublications.com


PCA and PLS modeling and prediction of trihalomethane formation in Barcelona's suply system.

X.Puig, J.Martín and R.Tauler.

Proceedings of the PLS'05 International Symposium: PLS and related methods. Edited by: T.Aluja, J.Casanovas, V.Esposito-Vinzi, A.Morineau and M.Tennehaus.

SPAD publications, http://www.testandgo.comgroupe/ Test&GoPCA, Vol 1, 2005 p 77-86

 

Multivariate Curve Resolution.

R.Tauler and A. de Juan

Practical Guide to Chemometrics, Chapter 11, 2nd Edition. Taylor & Francis Group, LLC, 2006 

 

State of the art in methods and software for the identification, resolution and apportionment of contamination sources

R. Tauler, P. Paatero, Ph.Hopke R. C. Henry4, C. Spiegelman, E. Sug Park, and R. L. Poirot In: Voinov, A., Jakeman, A., Rizzoli, A. (eds).

Proceedings of the iEMSs Third Biennial Meeting: "Summit on Environmental Modelling and Software".

http://www.iemss.org/iemss2006/sessions/all.html; www.iemss.org/wiki/fields/iemss2006/index.php

 

Identification, Resolution and Apportionment of Contamination Sources.

R. Tauler, P. Paatero, R.C. Henry, C. Spiegelman, E.S. Park, R.L. Poirot, M. Viana, X. Querol and P.K. Hopke, 

Developments in Integrated Environmental Assessment, vol. 3. In: A.J. Jakeman, editor(s), Amsterdam: Elsevier, 2008. p. 269-284

 

Introduction to Multivariate Curve Resolution.

Rutan, S.C.; de Juan, A.; Tauler, R.

Comprehensive Chemometrics, Vol.2,  Chapter 2.15 Elsevier, 2009

 

Two-way data analysis: Multivariate Curve Resolution: Iterative resolution methods 

de Juan, A.; Rutan, S.C.; Tauler, R.

Comprehensive Chemometrics, Vol.2,  Chapter 2.19 Elsevier, 2009

 

Two-way data analysis: Multivariate Curve Resolution- Error in Curve Curve Resolution

de Juan, A.; Tauler R.; Maeder. M ; Rutan, S.C.; Tauler, R.

Comprehensive Chemometrics, Vol.2,  Chapter 2.20 Elsevier, 2009

 

Multiset data analysis. Extended Multivariate Curve Resolution.

Tauler, R.; Maeder, M.; de Juan, A.

Comprehensive Chemometrics, Vol.2,  Chapter 2.24 Elsevier, 2009

 

Chemometric tools for image analysis,

de Juan, A.; Maeder, M.; Hancewicz, T.; Duponchel, L.; Tauler, R.

Infrared and Raman Spectroscopic Imaging, Editors: R. Salzer, H.W. Siesler, Wiley-VCH Aqo: (2009) pp. 65-112.

 

Chemometric Analysis and Mapping of Environemtal Pollution Sources in the Ebro River Basin,

M. Terrado, D. Barcels and R.Tauler.

The Handbook of Environmental Chemistry Vol. 13, The Ebro River Basin; Spinger Verlag, Berlin, 2010 pp 331-372

 

Chemometric Tools for Image Analysis, in Infrared and Raman Spectroscopic Imaging

Anna de Juan, Sara Piqueras, Marcel Maeder, Tom Hancewicz, Ludovic Duponchel, R. Tauler, R.

Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, (2014) : Second, Completely Revised and Updated Edition (eds R. Salzer and H. W. Siesler), Germany. pp: 57-110. DOI: 10.1002/9783527678136.ch2.

 

Multivariate Curve Resolution for Quantitative Analysis

Romà Tauler and Anna de Juan

In: Fundamentals and Analytical Applications of Multiway Calibration, 2015;

Data Handling in Science and Technology, Elsevier, Volume 29, 2015, Pages 247-292

 

Multivariate Curve Resolution: A Different Way To Examine Chemical Data

Amrita Malik, Anna de Juan, and Roma Tauler*

In: 40 Years of Chemometrics – From Bruce Kowalski to the Future

ACS Symposium Series; American Chemical Society: Washington, DC, 2015.

 

Ambiguities in Multivariate Curve Resolution

Amrita .Malik, Romà Tauler

Resolving Spectral Mixtures

Data Handling in Science and Technology, Elsevier, Volume 30, 2016, Pages 101-133

 

A protocol for LC-MS metabolomic data processing using chemometric tools

Eva Gorrochategui, Joaquim Jaumot, Romà Tauler

Protocols exchange, 2015.

DOI: http://dx.doi.org/10.1038/protex.2015.102

 

Data Analysis for Omic Sciences: Methods and Applications,

Comprehensive Analytical Chemistry, Wilson & Wilson, Elsevier, Volume 82,
1st Edition, D. Barceló Editor

Serial Volume Editors: Joaquim JaumotCarmen Bedia Romà Tauler

Imprint: Elsevier, Published Date: 1st October 2018,

Hardcover ISBN: 9780444640444

 

Introduction to the Data Analysis Relevance in the Omics Era

Carmen Bedia, Romà Tauler, and Joaquim Jaumot.

Comprehensive Analytical Chemistry, Wilson & Wilson, Elsevier, Volume 82, 2018.


Compression and Resolution Tools for the Analysis of Untargeted

Metabolomic Data

Eva Gorrochategui, Joaquim Jaumot, and Romà Tauler

Comprehensive Analytical Chemistry, Wilson & Wilson, Elsevier, Volume 82, 2018.

 

Applications of Metabolomics Analysis in Environmental Research 00

Carmen Bedia, Paulo Cardoso, Núria Dalmau, Elba Garreta-Lara,

Cristian Gómez-Canela, Eva Gorrochategui, Meritxell Navarro-Reig,

Elena Ortiz-Villanueva, Francesc Puig-Castellví, and Romà Tauler

Comprehensive Analytical Chemistry, Wilson & Wilson, Elsevier, Volume 82, 2018.

 

Data fusion by Multivariate Curve Resolution, in Data Fusion Methodology and Applications

A. de Juan, R. Tauler

Data fusion methodology and Applications (ed. M. Cocchi), Elsevier 2019

DOI: 10.106/B978-0-444-63984-4.00008-9.

 

Factor Analysis/Multivariate Curve Resolution

Jamile Mohammad Jafari, Anna de Juan, Roma Tauler,

Chemistry Molecular Sciences and Engineering, Enciclopedia analytical Chemistry, Elsevier 2019

https://doi.org/10.1016/B978-0-12-409547-2.14043-0